SCHEMBL4796337

SCHEMBL4796337

O=C(O)C1(O)C=Cc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX4 Q99571 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29896250 1.00 MAPT (0.42) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL31448339 0.80 MAPT (0.43) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL28059865 0.80 MAPT (0.43) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL984966 0.77 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL9782872 0.77 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL3912413 0.76 MAPT (0.39) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL6431986 0.73 MAPT (0.37) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL1285713 0.72 MAPT (0.46) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL31305217 0.71 MAPT (0.35) MAPTGAARAB9ASMN1; SMN2KDM4E
SCHEMBL3222750 0.70 MAPT (0.41) MAPTGAARAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105666-A Novel diazabicycloalkenes and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-07-26 CN claimed
EP-2836483-A1 ANTI-MALARIAL AGENTS University Of Dundee (GB) 2015-02-18 EP disclosed
WO-2013153357-A1 ANTI-MALARIAL AGENTS UNIVERSITY OF DUNDEE (GB) 2013-10-17 WO disclosed
US-7399434-B2 Rare metal compounds and mixtures of these HONEYWELL INTERNATIONAL INC (US) 2008-07-15 US disclosed
CN-1329399-C Rare earth metal compounds and mixtures of these HONEYWELL SPECIALTY CHEMICALS (DE) 2007-08-01 CN disclosed
US-7198732-B2 Rare earth metal compounds and mixtures of these HONEYWELL INTERNATIONAL INC. (US) 2007-04-03 US disclosed
US-20070051929-A1 Rare metal compounds and mixtures of these HONEYWELL INTERNATIONAL INC. (US) 2007-03-08 US disclosed
CN-1608072-A Rare earth metal compounds and mixtures thereof HONEYWELL SPECIALTY CHEMICALS (DE) 2005-04-20 CN disclosed
EP-1456213-B1 RARE EARTH METAL COMPOUNDS AND MIXTURES OF THESE HONEYWELL SPECIALTY CHEMICALS (DE) 2005-03-30 EP disclosed
US-20040262575-A1 Rare earth metal compounds and mixtures of these POTRAWA THOMAS 2004-12-30 US disclosed
EP-1456213-A1 RARE EARTH METAL COMPOUNDS AND MIXTURES OF THESE Honeywell Specialty Chemicals Seelze GmbH (DE) 2004-09-15 EP disclosed
WO-2003053980-A1 RARE EARTH METAL COMPOUNDS AND MIXTURES OF THESE HONEYWELL SPECIALITY CHEMICALS SEELZE GMBH (DE) 2003-07-03 WO disclosed
CN-1105666-A Novel diazabicycloalkenes and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-07-26 CN disclosed
CN-1024415-C Process for preparing benzoic acid derivatives BAYER AG (DE) 1994-05-04 CN disclosed
CN-1012958-B PROCESS FOR PREPARATION OF 2-HYDROXY QUINOLINE CARBOXYLIC ACID DERIVATIVES KYORIN SEIYAKU KK (JP) 1991-06-26 CN disclosed
US-4767698-A PHOTOSTABILITY, HEAT RESISTANCE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
CN-87106482-A Process for preparing benzoic acid derivatives 1988-03-30 CN disclosed
CN-85106674-A The preparation method of 2-hydroxy quinoline carboxylic acid derivatives 1986-07-16 CN disclosed
CN-85106674-A The preparation method of 2-hydroxy quinoline carboxylic acid derivatives 1986-07-16 CN disclosed
CN-85106674-A The preparation method of 2-hydroxy quinoline carboxylic acid derivatives 1986-07-16 CN 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-20040262575-A1 Rare earth metal compounds and mixtures of these SOD1, ERCC4, ERCC1 MAPT 237/4885GAA 298/4885RAB9A 646/4885
US-20070051929-A1 Rare metal compounds and mixtures of these RUVBL2, SOD1, MSH6 MAPT 256/4885GAA 215/4885RAB9A 170/4885

“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.