SCHEMBL1989146

SCHEMBL1989146

[c]1cccnc1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 7/20 0.42
HSD17B10 Q99714 6/20 0.42
POLB P06746 5/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPC1 O15118 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 2/20 0.42
PTPN7 P35236 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
CASP7 P55210 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL751581 0.73 HDAC8 (0.33) KDM4EPOLBBLMLMNA
SCHEMBL570221 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL28852327 0.71 HPGDS (0.41)
SCHEMBL5259444 0.70 POLB (0.65) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL8064994 0.68 CYP1A2 (0.33) ALDH1A1POLBKMT2AL3MBTL1CYP19A1
SCHEMBL1671362 0.68 CYP2A6 (0.30)
SCHEMBL297554 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL1202054 0.67 NOTUM (0.37) ALDH1A1KDM4EHSD17B10POLBRAB9A
SCHEMBL1316589 0.66
SCHEMBL31064873 0.66 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2006074919-A2 3-AMINO-6-ARYL(OR 6-HETEROARYL)-THIENO[2,3-B]PYRIDIN-2-CARBOXAMIDES, PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AND THEIR USE AS TNFα INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-07-20 WO disclosed
CN-1687086-A Substituted phenoxy acetoxyl aromatic heterocyclic alkyl phosphinic acid ester salt with bactericidal and herbicidal activity and preparation thereof UNIV CENTRAL CHINA NORMAL (CN) 2005-10-26 CN disclosed
US-4415566-A ANTIBIOTICS; BACTERIOSTATS; BACTERICIDES BOEHRINGER INGELHEIM GMBH (DE) 1983-11-15 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS ALDH1A1 2719/4885KDM4E 296/4885HSD17B10 1480/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS ALDH1A1 3199/4885KDM4E 156/4885HSD17B10 3346/4885

“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.