SCHEMBL317489

SCHEMBL317489

Cc1ccc2[nH]c(C)c(-c3ccc4cccc(C)c4n3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 1/20 0.44
MAP3K14 Q99558 1/20 0.41
EIF2AK2 P19525 2/20 0.40
CYP2C9 P11712 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 2/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.36
CHEK1 O14757 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
SCHEMBL2963134 0.84 PTGS2 (0.41) CYP1A2MAP3K14EIF2AK2CYP2C9MEN1
SCHEMBL317769 0.84 MAP3K14 (0.37) CYP1A2CYP2A6MAP3K14EIF2AK2CYP2C9
SCHEMBL317121 0.82 PDE10A (0.42) MAP3K14EIF2AK2MEN1KMT2ALMNA
SCHEMBL2952530 0.81 MEN1 (0.36) CYP1A2MAP3K14EIF2AK2CYP2C9MEN1
SCHEMBL317230 0.78 MEN1 (0.44) CYP1A2CYP2A6CYP2C9MEN1KMT2A
SCHEMBL2952908 0.74 PTGDR2 (0.51) MAP3K14EIF2AK2CYP2C9MEN1KMT2A
SCHEMBL19618096 0.71 AR (0.59) ARCYP1A2CYP2A6PDE3BPDE3A
SCHEMBL1758180 0.70 LMNA (0.69) CYP1A2MAP3K14EIF2AK2CYP2C9MEN1
SCHEMBL317569 0.68 MAPT (0.39) CYP1A2MAP3K14EIF2AK2CYP2C9MEN1
SCHEMBL19618104 0.68 AR (0.56) ARCYP1A2CYP2A6PDE3BPDE3A

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 AR 1245/4885CYP1A2 45/4885CYP2A6 181/4885
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 AR 1223/4885CYP1A2 1386/4885CYP2A6 1761/4885

“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.