SCHEMBL317230

SCHEMBL317230

Cc1ccc2[nH]c(C)c(-c3cc(C)nc4c(C)cccc34)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
PARP1 P09874 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
PSMD14 O00487 1/20 0.36
MITF O75030 1/20 0.36
APEX1 P27695 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
SCHEMBL317569 0.88 MAPT (0.39) MEN1KMT2ACYP1A2CYP2C9POLB
SCHEMBL317631 0.85 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2C9PARP1
SCHEMBL2952908 0.83 PTGDR2 (0.51) MEN1KMT2ACYP2C9POLBNPC1
SCHEMBL317489 0.78 AR (0.45) MEN1KMT2ACYP1A2CYP2C9KDM4E
SCHEMBL317189 0.73 PTGDR2 (0.53) CYP2C9PTGS2KDM4ELMNAGABRP
SCHEMBL317746 0.73 PTGDR2 (0.53) MEN1KMT2ACYP2C9POLBNPC1
SCHEMBL317203 0.72 MEN1 (0.53) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL317661 0.72 PTGDR2 (0.54) CYP2C9PARP1PTGS2KDM4EGABRP
SCHEMBL2955003 0.71 MAPK14 (0.47) CYP2C9PARP1PTGS2KDM4EALDH1A1
SCHEMBL317790 0.69 ACHE (0.40) MEN1KMT2ACYP2C9PARP1NPC1

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 MEN1 2839/4885KMT2A 2018/4885TP53 3806/4885
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 MEN1 4579/4885KMT2A 3666/4885TP53 4386/4885

“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.