SCHEMBL350139

SCHEMBL350139

CN([C]=O)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ABCB11 O95342 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
DDAH1 O94760 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL358399 0.80 LMNA (0.62) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL270476 0.78 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL270477 0.78 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
Hydrochloric Acid SCHEMBL20291494 0.78 LMNA (0.66) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL29025770 0.78 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL15883889 0.77 LMNA (0.59) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL22227972 0.75 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL251109 0.75 LMNA (0.53) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL19361299 0.74 LMNA (0.56) LMNACYP1A2CYP2D6CYP2C19BCHE
SCHEMBL15883906 0.74 BCHE (0.58) LMNACYP1A2CYP2D6CYP2C19BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF KYOTO UNIVERSITY (JP) 2011-02-17 US disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP disclosed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP disclosed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US disclosed
US-6589984-B1 Blood cholesterol and triglycerides (TG) themselves are generally insoluble in blood, and they exist as lipoproteins by binding with apolipoproteins. In the body, triglycerides are biosynthesized primarily in the liver from acetyl CoA as TEIJIN LIMITED (JP) 2003-07-08 US disclosed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 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 (7 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF LMNA 3723/4885CYP1A2 4794/4885CYP2D6 4280/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 LMNA 4034/4885CYP1A2 4601/4885CYP2D6 4367/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 LMNA 3348/4885CYP1A2 3450/4885CYP2D6 3818/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA LMNA 4367/4885CYP1A2 4299/4885CYP2D6 3986/4885
US-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 LMNA 2644/4885CYP1A2 542/4885CYP2D6 1756/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF LMNA 3723/4885CYP1A2 4794/4885CYP2D6 4280/4885
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF MEN1, HGF, STMN1 LMNA 3542/4885CYP1A2 4759/4885CYP2D6 4312/4885

“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.