SCHEMBL406479

SCHEMBL406479

CC(C)(C)CC(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
HPGD P15428 2/20 0.70
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
RIPK1 Q13546 1/20 0.57
MMP8 P22894 1/20 0.55
MCL1 Q07820 1/20 0.54
RAB9A P51151 1/20 0.54
EPHX2 P34913 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20734739 0.86 GAA (0.56) LMNAHPGDGAAKMT2AMEN1
SCHEMBL20665546 0.84 HPGD (0.73) LMNAHPGD
SCHEMBL14995962 0.84 HPGD (0.73) LMNAHPGDKMT2AMEN1RAB9A
SCHEMBL17637682 0.83 HPGD (0.58) LMNAHPGDKMT2AMEN1RAB9A
SCHEMBL23080111 0.83 GAA (0.53) LMNAHPGDGAAKMT2AMEN1
SCHEMBL13781505 0.82 HPGD (0.66) LMNAHPGDGAARAB9AHTT
SCHEMBL10268245 0.82 GAA (0.66) LMNAHPGDGAAKMT2AMEN1
SCHEMBL15562668 0.82 HPGD (1.00) LMNAHPGDGAAKMT2ARAB9A
SCHEMBL8331572 0.82 NPC1 (0.61) LMNAHPGDMMP8RAB9ACYP3A4
SCHEMBL8843180 0.82 LMNA (0.59) LMNAHPGDGAAKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 473 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 US disclosed
US-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-05 US disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-08-13 US disclosed
EP-2629771-B1 USE OF PI3K INHIBITORS FOR THE TREATMENT OF OBESITY, STEATOSIS AND AGEING FUNDACION CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2018-08-08 EP disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-7183309-B2 Indole derivatives useful as progesterone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7179818-B2 Substituted aminoquinuclidine compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-20 US disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 US disclosed
US-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 US disclosed
US-7166601-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-01-23 US disclosed
US-20070014751-A1 Novel spiro-quinuclidinyl derivatives for the treatment of central nervous system disorders JANSSEN PHARMACEUTICAL, N.V. (BE) 2007-01-18 US disclosed
US-20070004728-A1 Method of synthesis of azole-containing amino acids HLASTA DENNIS J 2007-01-04 US disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021436-A1 INTERMEDIATES USEFUL IN THE SYNTHESIS OF ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS, AND RELATED METHODS OF SYNTHESIS FLT3, ABL1, KIT LMNA 1503/4885HPGD 4095/4885GAA 3441/4885
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C LMNA 4499/4885HPGD 3485/4885GAA 1936/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C LMNA 4499/4885HPGD 3485/4885GAA 1936/4885
US-20230312560-A1 COMPOUNDS USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 LMNA 688/4885HPGD 1384/4885GAA 1889/4885
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 LMNA 594/4885HPGD 792/4885GAA 2125/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 LMNA 1886/4885HPGD 3513/4885GAA 3117/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG LMNA 1575/4885HPGD 2805/4885GAA 1313/4885
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 LMNA 1005/4885HPGD 377/4885GAA 2649/4885
US-20070014751-A1 Novel spiro-quinuclidinyl derivatives for the treatment of central nervous system disorders GRIN2C, GRIN2A, CHRNA2 LMNA 2866/4885HPGD 1818/4885GAA 2019/4885
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity KCNN2, KCNH3, KCNN1 LMNA 3173/4885HPGD 1322/4885GAA 3285/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 LMNA 1285/4885HPGD 86/4885GAA 3667/4885
US-20070004728-A1 Method of synthesis of azole-containing amino acids AADAT, DAO, BCAT2 LMNA 4187/4885HPGD 856/4885GAA 3225/4885
US-20070021435-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TK1 LMNA 3189/4885HPGD 3459/4885GAA 1693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.