SCHEMBL953654

SCHEMBL953654

N#CCc1c(O)ccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 6/20 0.59
MAPT P10636 6/20 0.59
TAAR1 Q96RJ0 1/20 0.59
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 2/20 0.54
GLA P06280 1/20 0.54
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.48
KMT2A Q03164 5/20 0.47
CYP2D6 P10635 2/20 0.47
HIF1A Q16665 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46

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
SCHEMBL7367929 0.82 HSD17B10 (0.59) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4891942 0.81 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL22188632 0.81 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8974659 0.79 HSD17B10 (0.41) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL36762 0.78 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL226196 0.78 HSD17B10 (0.76) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29357214 0.78 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6173898 0.78 TSHR (0.48) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL2383836 0.76 L3MBTL1 (0.54) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL761745 0.76 HSD17B10 (0.73) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621407-B Preparation and application of azine-based COFs covalent organic framework material 中国科学院大连化学物理研究所 2023-03-28 CN disclosed
CN-114621407-A Preparation and application of azine-based COFs covalent organic framework material 中国科学院大连化学物理研究所 2022-06-14 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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 (2 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK HSD17B10 128/4885CYP1A2 536/4885CYP2C9 675/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B HSD17B10 1048/4885CYP1A2 38/4885CYP2C9 182/4885

“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.