SCHEMBL317296

SCHEMBL317296

Cc1ccc2[nH]c(C)c(-c3nccc4ccccc34)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ITK Q08881 1/20 0.44
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 4/20 0.42
POLB P06746 1/20 0.42
MAP3K14 Q99558 2/20 0.41
CYP2A6 P11509 1/20 0.41
IMPDH2 P12268 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41

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
SCHEMBL15397134 0.76 KDM4E (0.46) KMT2AKDM4ENPC1MAPTRAB9A
SCHEMBL1757957 0.73 LMNA (0.44) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL317502 0.73 MEN1 (0.42) BCHEITKKMT2AKDM4ENPC1
SCHEMBL14956247 0.73 BCHE (0.74) BCHEKMT2AKDM4EMAPTNPSR1
SCHEMBL2952908 0.72 PTGDR2 (0.51) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL10067391 0.72 KDM4E (0.45) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL12223316 0.72 PLAU (0.56) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL13978866 0.72 PLAU (0.56) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL3981072 0.71 KDM4E (0.65) BCHEKMT2AKDM4ENPC1MAPT
SCHEMBL27974170 0.71 NQO2 (0.52) BCHEKMT2AKDM4ENPC1MAPT

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-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 BCHE 3189/4885ITK 4317/4885KMT2A 2018/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 BCHE 1457/4885ITK 3895/4885KMT2A 3666/4885

“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.