SCHEMBL3633976

SCHEMBL3633976

NC(=O)c1ccc(N2CCNCC2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 5/20 0.62
PARP1 P09874 1/20 0.46
DGAT1 O75907 1/20 0.46
TGFBR1 P36897 2/20 0.46
RPS6KB1 P23443 1/20 0.46
ADRB1 P08588 3/20 0.45
MAP2 P11137 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL27825221 0.98 ACVR1 (0.61) ACVR1PARP1DGAT1TGFBR1RPS6KB1
SCHEMBL20976865 0.86 IP6K1 (0.51) ACVR1DGAT1RPS6KB1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL31752236 0.85 ACVR1 (0.49) ACVR1PARP1DGAT1RPS6KB1USP2
SCHEMBL4433812 0.85 ACVR1 (0.50) ACVR1ADRB1MAP2USP2ALDH1A1
SCHEMBL30879569 0.83 MAPT (0.55) ACVR1TGFBR1ADRB1USP2ALDH1A1
SCHEMBL1741562 0.82 ADRB1 (0.61) ACVR1TGFBR1ADRB1USP2ALDH1A1
SCHEMBL28190265 0.82 PRKDC (0.55) ACVR1PARP1DGAT1RPS6KB1MAPT
SCHEMBL30798753 0.82 ADRB1 (0.61) ACVR1TGFBR1ADRB1USP2ALDH1A1
SCHEMBL25093446 0.81 PARP1 (0.48) ACVR1PARP1TGFBR1ADRB1USP2
SCHEMBL29960481 0.81 PARP1 (0.48) ACVR1PARP1TGFBR1ADRB1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710433-A Selective PARP1 inhibitor and application thereof 成都百裕制药股份有限公司 2023-09-05 CN disclosed
WO-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed
WO-2022222966-A1 SELECTIVE PARP1 INHIBITOR AND APPLICATION THEREOF 成都百裕制药股份有限公司 2022-10-27 WO disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885PARP1 3516/4885DGAT1 2/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885PARP1 3516/4885DGAT1 2/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885PARP1 3516/4885DGAT1 2/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACVR1 4446/4885PARP1 3516/4885DGAT1 2/4885

“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.