SCHEMBL317189

SCHEMBL317189

Cc1ccc2[nH]c(C)c(-c3ccnc4c(Cl)cccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.53
MAP3K14 Q99558 1/20 0.44
EIF2AK2 P19525 6/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NR4A2 P43354 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
BCHE P06276 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 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
SCHEMBL2961347 0.88 PTGDR2 (0.44) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL2952908 0.87 PTGDR2 (0.51) PTGDR2MAP3K14EIF2AK2KDM4ECYP2C9
SCHEMBL317746 0.85 PTGDR2 (0.53) PTGDR2MAP3K14EIF2AK2CYP2C9PTGS1
SCHEMBL317159 0.85 NR1H2 (0.55) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL2959852 0.85 KIF11 (0.42) PTGDR2MAP3K14EIF2AK2NR1H2NR1H3
SCHEMBL317661 0.83 PTGDR2 (0.54) PTGDR2NR1H2NR1H3KDM4ECYP2C9
SCHEMBL317790 0.79 ACHE (0.40) PTGDR2MAP3K14KDM4ECYP2C9PTGS1
Hydrochloric Acid SCHEMBL2952627 0.78 CYP2C9 (0.39) PTGDR2MAP3K14KDM4ECYP2C9PTGS1
SCHEMBL3042442 0.78 HTR1A (0.42) PTGDR2MAP3K14KDM4EPTGS1BCHE
SCHEMBL317371 0.78 PTGDR2 (0.52) PTGDR2MAP3K14EIF2AK2NR4A2LMNA

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 PTGDR2 429/4885MAP3K14 3677/4885EIF2AK2 1008/4885
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 PTGDR2 54/4885MAP3K14 2656/4885EIF2AK2 1395/4885

“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.