SCHEMBL317203

SCHEMBL317203

COc1ccc2nc(C)cc(-c3c(C)[nH]c4ccc(C)cc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GFER P55789 2/20 0.53
EIF2AK2 P19525 3/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
NQO2 P16083 1/20 0.45
HTR6 P50406 2/20 0.45
HTR7 P34969 1/20 0.45
RAD52 P43351 1/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
AKR1C2 P52895 1/20 0.43
HTR1D P28221 1/20 0.41
MCL1 Q07820 1/20 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
SCHEMBL317631 0.75 MEN1 (0.44) MEN1KMT2AGFERPKMKDM4E
Glycozoline SCHEMBL11981403 0.73 ALDH1A1 (0.81) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL317230 0.72 MEN1 (0.44) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL28494948 0.71 AURKA (0.57) MEN1KMT2APKMKDM4EHSD17B10
SCHEMBL18019742 0.71 ALDH1A1 (0.57) MEN1KMT2AGFERKDM4EHSD17B10
SCHEMBL1720491 0.70 MEN1 (0.57) MEN1KMT2AGFEREIF2AK2KDM4E
SCHEMBL317569 0.70 MAPT (0.39) MEN1KMT2AGFEREIF2AK2KDM4E
SCHEMBL316963 0.70 PTGDR2 (0.73) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL30693718 0.69 MEN1 (1.00) MEN1KMT2AGFEREIF2AK2KDM4E
SCHEMBL27145307 0.69 MEN1 (1.00) MEN1KMT2AGFEREIF2AK2KDM4E

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 2018/4885GFER 3678/4885
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 3666/4885GFER 2647/4885

“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.