SCHEMBL317793

SCHEMBL317793

COc1ccc2[nH]c(C)c(-c3ccnc4c(C)cccc34)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 3/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GFER P55789 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
HTR6 P50406 2/20 0.45
HTR7 P34969 1/20 0.45
TSHR P16473 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
BCHE P06276 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL2952908 0.85 PTGDR2 (0.51) EIF2AK2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2955003 0.83 MAPK14 (0.47) EIF2AK2KDM4EALDH1A1HTR6HTR7
SCHEMBL2958277 0.80 NR1H2 (0.44) MAPT
SCHEMBL318123 0.79 GABRP (0.43) MEN1KMT2AKDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL2955373 0.78 GABRP (0.42) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL317189 0.73 PTGDR2 (0.53) EIF2AK2KDM4EBCHE
SCHEMBL317746 0.73 PTGDR2 (0.53) EIF2AK2MEN1KMT2ABCHEFLT3
SCHEMBL317790 0.72 ACHE (0.40) MEN1KMT2AGFERKDM4EALDH1A1
SCHEMBL2961347 0.71 PTGDR2 (0.44) EIF2AK2KDM4EALDH1A1MAPTHTR6
SCHEMBL317661 0.71 PTGDR2 (0.54) KDM4EBCHE

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 EIF2AK2 1008/4885MEN1 2839/4885KMT2A 2018/4885
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 EIF2AK2 1395/4885MEN1 4579/4885KMT2A 3666/4885

“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.