SCHEMBL2816965

SCHEMBL2816965

NC(=O)c1nc(Cc2ccc(C(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.53
SRD5A2 P31213 1/20 0.46
P2RY14 Q15391 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MTOR P42345 2/20 0.41
NAMPT P43490 1/20 0.40
FAAH O00519 1/20 0.40
PIN1 Q13526 1/20 0.40
FBP1 P09467 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL2812870 0.91 EPHX2 (0.43) EPHX2TBXA2RPTGDRPTGDR2MTOR
SCHEMBL2819274 0.91 EPHX2 (0.43) EPHX2TBXA2RPTGDRPTGDR2MTOR
SCHEMBL13133007 0.90 NR1H4 (0.56) EPHX2NR1H4FBP1CA12CA2
SCHEMBL2813899 0.90 EPHX2 (0.46) EPHX2MTORNAMPTCA12CA1
SCHEMBL2815908 0.89 EPHX2 (0.44) EPHX2TBXA2RPTGDRPTGDR2MTOR
SCHEMBL2813822 0.89 MAPT (0.43) EPHX2TBXA2RPTGDRPTGDR2MTOR
SCHEMBL2816640 0.89 EPHX2 (0.45) EPHX2MTORNAMPTCA12CA1
SCHEMBL2816508 0.88 EPHX2 (0.56) EPHX2NAMPTFAAH
SCHEMBL2817947 0.88 HIF1A (0.48) EPHX2TBXA2RPTGDRPTGDR2NAMPT
SCHEMBL2815905 0.88 TBXA2R (0.42) EPHX2TBXA2RPTGDRPTGDR2MTOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP claimed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US 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 (1 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 EPHX2 2238/4885SRD5A2 1156/4885P2RY14 4611/4885

“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.