SCHEMBL8917423

SCHEMBL8917423

CCOC(=O)NCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MMP8 P22894 2/20 0.43
MMP1 P03956 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL9797359 0.86 GAA (0.46) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL4819904 0.84 GAA (0.45) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL13681841 0.84 GAA (0.45) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL3373145 0.84 GAA (0.45) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL16293376 0.83 ACHE (0.48) CYP2D6CYP2C19MMP8MMP1EPHX1
SCHEMBL4611409 0.82 SMN1; SMN2 (0.53) CYP2D6CYP2C19GAAKMT2AMMP8
SCHEMBL9117583 0.82 GAA (0.46) CYP2C19GAAKMT2AMEN1ALDH1A1
SCHEMBL26853493 0.81 GAA (0.43) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL7562939 0.81 KMT2A (0.43) CYP2D6CYP2C19GAAKMT2AMEN1
SCHEMBL10634574 0.81 ALDH1A1 (0.45) CYP2D6CYP2C19GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-10723711-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2020-07-28 US disclosed
US-9132079-B2 Product for keratin-containing fibers, containing at least a specific copolymer of the N-vinylpyrrolidone and at least a polymer with structural units derived from maleic acid ester HENKEL AG & CO. KGAA (DE) 2015-09-15 US disclosed
US-20140369946-A1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCUTRAL UNITS DERIVED FROM MALEIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2014-12-18 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 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 (11 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP2D6 202/4885CYP2C19 388/4885GAA 283/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885CYP2C19 180/4885GAA 179/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP2D6 497/4885CYP2C19 180/4885GAA 179/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CYP2D6 202/4885CYP2C19 388/4885GAA 283/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CYP2D6 2976/4885CYP2C19 3803/4885GAA 1029/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2D6 478/4885CYP2C19 392/4885GAA 433/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP2D6 202/4885CYP2C19 388/4885GAA 283/4885
US-20120231998-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CYP2D6 202/4885CYP2C19 388/4885GAA 283/4885
US-10723711-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN CYP2D6 1636/4885CYP2C19 2198/4885GAA 361/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E CYP2D6 465/4885CYP2C19 712/4885GAA 1558/4885
US-20140369946-A1 PRODUCT FOR KERATIN-CONTAINING FIBERS, CONTAINING AT LEAST A SPECIFIC COPOLYMER OF THE N-VINYLPYRROLIDONE AND AT LEAST A POLYMER WITH STRUCUTRAL UNITS DERIVED FROM MALEIC ACID ESTER KRT18, TUBB6, SMC2 CYP2D6 1963/4885CYP2C19 2061/4885GAA 4082/4885

“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.