SCHEMBL1006378

SCHEMBL1006378

N=C(N)NCc1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TPSAB1 Q15661 5/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
F2 P00734 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
PRSS1 P07477 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL24891801 0.84 EPHX2 (0.53) EPHX2NR1H4F2PRSS1MEN1
SCHEMBL3672272 0.84 CYP2C9 (0.48) CYP2C9CYP2C19TPSAB1ALDH1A1MAPT
SCHEMBL7522221 0.84 EPHX2 (0.38) EPHX2NR1H4CYP2C9CYP2C19TPSAB1
SCHEMBL2701023 0.83 CYP2C9 (0.61) EPHX2NR1H4CYP2C9CYP2C19TPSAB1
SCHEMBL28464230 0.81 ALDH1A1 (0.41) EPHX2NR1H4CYP2C9CYP2C19TPSAB1
Hydrochloric Acid SCHEMBL28464115 0.80 ALDH1A1 (0.39) EPHX2NR1H4CYP2C9CYP2C19TPSAB1
SCHEMBL4684459 0.80 MAOA (0.40) CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL24891965 0.78 NAMPT (0.44) EPHX2NR1H4CYP2C9CYP2C19F2
SCHEMBL11788529 0.78 CYP2C9 (0.42) EPHX2NR1H4CYP2C9CYP2C19TPSAB1
SCHEMBL1935484 0.77 EPHX2 (0.55) EPHX2NR1H4CYP2C9CYP2C19TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210998-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-2314609-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
EP-2081955-B1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-05-06 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-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 US disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1963362-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
WO-2007072997-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 WO disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1581557-A2 METASTIN DERIVATIVES AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2005-10-05 EP disclosed
US-6800611-B2 ANTICANCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
WO-2004060264-A2 METASTIN DERIVATIVES AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2004-07-22 WO disclosed
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-22 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 (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-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 EPHX2 3564/4885NR1H4 2346/4885CYP2C9 4462/4885
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal GPR27, GPR132, LPAR3 EPHX2 1702/4885NR1H4 77/4885CYP2C9 4375/4885

“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.