SCHEMBL317201

SCHEMBL317201

Cc1cccc2c1c(-c1nsc3ccccc13)cn2CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MCL1 Q07820 3/20 0.40
BAD Q92934 2/20 0.40
CMA1 P23946 2/20 0.40
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 2/20 0.39
STAT3 P40763 1/20 0.39
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
TBXAS1 P24557 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
SCHEMBL317500 0.78 PTGDR2 (0.44) PTGDR2KDM4EALDH1A1CMA1STAT3
SCHEMBL1924126 0.72 PTGDR2 (0.46) KMT2APTGDR2KDM4EALDH1A1MCL1
SCHEMBL3307798 0.68 KMT2A (0.74) KMT2AKDM4EALDH1A1MCL1MEN1
SCHEMBL2954875 0.68 GPR84 (0.44) KMT2AKDM4EALDH1A1MEN1GAA
SCHEMBL317268 0.66 TSHR (0.43) KMT2APTGDR2KDM4EALDH1A1MCL1
SCHEMBL14091229 0.65 KMT2A (0.44) KMT2AKDM4EALDH1A1MCL1AKR1A1
SCHEMBL317140 0.65 PTGDR2 (0.60) PTGDR2AKR1B1
SCHEMBL318291 0.65 PTGDR2 (0.60) PTGDR2
SCHEMBL317750 0.64 PTGDR2 (0.61) PTGDR2
SCHEMBL10574733 0.64 PTGDR2 (0.42) KMT2APTGDR2KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US claimed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US claimed
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 claimed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP claimed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO claimed
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 KMT2A 2018/4885PTGDR2 429/4885KDM4E 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 KMT2A 3666/4885PTGDR2 54/4885KDM4E 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.