SCHEMBL2813899

SCHEMBL2813899

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
PTGS1 P23219 2/20 0.45
MTOR P42345 3/20 0.43
NAMPT P43490 1/20 0.41
MAPT P10636 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FLT3 P36888 1/20 0.40
MAPK14 Q16539 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TYMP P19971 1/20 0.39
CNR1 P21554 1/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL2816640 0.91 EPHX2 (0.45) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2816965 0.90 EPHX2 (0.53) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2812870 0.89 EPHX2 (0.43) EPHX2PTGS1MTOR
SCHEMBL2819274 0.89 EPHX2 (0.43) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2817947 0.88 HIF1A (0.48) EPHX2PTGS1NAMPTMAPTRAB9A
SCHEMBL13132987 0.88 SAE1 (0.51) EPHX2MAPTRAB9AMEN1KMT2A
SCHEMBL2816815 0.87 IDH1 (0.48) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2813822 0.87 MAPT (0.43) EPHX2MTORNAMPTMAPTRAB9A
SCHEMBL2815908 0.87 EPHX2 (0.44) EPHX2PTGS1MTORNAMPTCA1
SCHEMBL2817131 0.87 ABCG2 (0.50) EPHX2MTORMAPTCA12CA1

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 3 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
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 2238/4885PTGS1 352/4885MTOR 1794/4885

“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.