SCHEMBL2816640

SCHEMBL2816640

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
MTOR P42345 3/20 0.42
NAMPT P43490 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TYMP P19971 1/20 0.39
CNR1 P21554 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KIF11 P52732 1/20 0.38
CCNC P24863 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
SCHEMBL2813899 0.91 EPHX2 (0.46) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2816965 0.89 EPHX2 (0.53) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2819274 0.88 EPHX2 (0.43) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2812870 0.88 EPHX2 (0.43) EPHX2MTOR
SCHEMBL2817947 0.87 HIF1A (0.48) EPHX2TRPV1NAMPTMAPTRAB9A
SCHEMBL13132987 0.87 SAE1 (0.51) EPHX2MAPTMEN1KMT2ARAB9A
SCHEMBL2813822 0.86 MAPT (0.43) EPHX2TRPV1MTORNAMPTMAPT
SCHEMBL2816815 0.86 IDH1 (0.48) EPHX2MTORNAMPTMAPTCA12
SCHEMBL2815908 0.86 EPHX2 (0.44) EPHX2MTORNAMPTCA1CA2
SCHEMBL2817131 0.86 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
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
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 2238/4885TRPV1 3731/4885MTOR 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.