SCHEMBL317631

SCHEMBL317631

COc1cccc2c(-c3c(C)[nH]c4ccc(C)cc34)cc(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
MMP14 P50281 1/20 0.44
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GFER P55789 2/20 0.39
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL317230 0.85 MEN1 (0.44) MEN1KMT2AMAPTTNKSTNKS2
SCHEMBL317569 0.83 MAPT (0.39) MEN1KMT2AMAPTMMP14ALDH1A1
SCHEMBL317203 0.75 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2952908 0.72 PTGDR2 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL26766431 0.70 CRHR1 (0.58) MAPTTNKSTNKS2PARP1ALDH1A1
SCHEMBL317189 0.70 PTGDR2 (0.53) KDM4EPTGDR2CYP2C9
SCHEMBL317746 0.70 PTGDR2 (0.53) MEN1KMT2APTGDR2CYP2C9NPC1
SCHEMBL317093 0.70 PTGDR2 (0.76) PTGDR2CYP2C9
SCHEMBL22689514 0.69 GFER (0.43) MAPTTNKSTNKS2PARP1ALDH1A1
SCHEMBL18535287 0.69 KDM4E (0.59) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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 2018/4885MAPT 2642/4885
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 3666/4885MAPT 4719/4885

“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.