SCHEMBL317570

SCHEMBL317570

Cc1[nH]c2c(Cl)cc(F)c(C)c2c1-c1nsc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.34
PDE7A Q13946 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL317690 0.79 SMN1; SMN2 (0.35) EPAS1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL2961511 0.70 HTR7 (0.43) EPAS1KDM4EALDH1A1MAPT
SCHEMBL2961014 0.69 GABRP (0.39) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL317502 0.67 MEN1 (0.42) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3980764 0.66 CYP1A2 (0.46) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL2959702 0.65 KIF11 (0.48) KDM4E
SCHEMBL28563540 0.62 MAPT (0.60) EPAS1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL30987223 0.62 MAPT (0.60) EPAS1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3234433 0.60 KRAS (0.52) HSD17B10
SCHEMBL6246287 0.60 KDM4E (0.33) EPAS1KDM4EALDH1A1MAPTHSD17B10

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 EPAS1 416/4885PDE7A 3634/4885KDM4E 1758/4885
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 EPAS1 1248/4885PDE7A 672/4885KDM4E 4780/4885

“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.