SCHEMBL2187375

SCHEMBL2187375

[c]1nc2ccccc2cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 5/20 0.38
GLA P06280 2/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 5/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 5/20 0.37
GAA P10253 2/20 0.37
ALPL P05186 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4722008 0.87 ALDH1A1 (0.39) KMT2AMEN1GSK3BCDK5CDK5R1
SCHEMBL9032374 0.82 CYP1A2 (0.49) ALDH1A1HPGDMAPTHSD17B10ESR1
SCHEMBL7499231 0.79 BCHE (0.46) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL2447211 0.78 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTHSD17B10
SCHEMBL6770764 0.76 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL577790 0.76 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL3933846 0.76 KDM4E (0.41) KMT2AALDH1A1HPGDMAPTGLA
SCHEMBL21630330 0.75 MEN1 (0.41) KMT2AMEN1GSK3BCDK5CDK5R1
SCHEMBL4875674 0.74 MAPT (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL628270 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903037-A1 1-(hetero)aryl-3-[heteroaryl-piperidin-4yl]-thiourea derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US claimed
US-20050042713-A1 Characterising polypeptides PROTEOME SCIENCES R&D GMBH & CO. KG (DE) 2005-02-24 US claimed
EP-1397684-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & Co. KG (DE) 2004-03-17 EP claimed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP claimed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP claimed
WO-2002099436-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO claimed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO claimed
EP-1265072-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-11 EP claimed
US-6117874-A AROMATIC RING-SUBSTITUTED 4-HYDROXYTETRAHYDROQUINOLINES PFIZER INC. (US) 2000-09-12 US claimed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US claimed
CN-106232592-A Triazine compound and method for producing same 东曹株式会社 2016-12-14 CN disclosed
EP-2968322-A2 MAP KINASE MODULATORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2016-01-20 EP disclosed
US-9145481-B2 Porous inorganic/organic hybrid materials with ordered domains for chromatographic separations and processes for their preparation WATERS TECHNOLOGIES CORPORATION (US) 2015-09-29 US disclosed
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO disclosed
US-4782052-A ANTIULCER RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1988-11-01 US disclosed
EP-0177361-A2 Octahydroindolo-[2,3-a]quinolizin-l-yl-alkanecarboxylic acid amides and salts thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-04-09 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-20050042713-A1 Characterising polypeptides PTMS, ANPEP, DNPEP KMT2A 3531/4885MEN1 2310/4885GSK3B 4617/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 KMT2A 4739/4885MEN1 3065/4885GSK3B 2623/4885

“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.