SCHEMBL2816401

SCHEMBL2816401

NC(=O)c1nc(Cc2ccc(C(=O)NCCc3c[nH]cn3)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
MCHR1 Q99705 2/20 0.41
RAF1 P04049 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NAMPT P43490 3/20 0.39
CNR1 P21554 1/20 0.38
CXCR4 P61073 1/20 0.37
SNCA P37840 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13883228 0.92 NAMPT (0.38) EPHX2MCHR1RAF1NAMPTCNR1
SCHEMBL2815271 0.86 LMNA (0.40) EPHX2MCHR1CA1CA2CA9
SCHEMBL2815908 0.84 EPHX2 (0.44) EPHX2MCHR1CA1CA2CA7
SCHEMBL2812870 0.82 EPHX2 (0.43) EPHX2MCHR1
SCHEMBL2816965 0.81 EPHX2 (0.53) EPHX2CA1CA2CA9NAMPT
SCHEMBL2813625 0.81 KMT2A (0.46) CA2NAMPTPOLB
SCHEMBL2819274 0.81 EPHX2 (0.43) EPHX2MCHR1CA1CA2CA9
SCHEMBL2817947 0.80 HIF1A (0.48) EPHX2NAMPTMAPT
SCHEMBL2813899 0.79 EPHX2 (0.46) EPHX2CA1CA2CA9NAMPT
SCHEMBL2813822 0.79 MAPT (0.43) EPHX2MCHR1NAMPTMAPT

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 4 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 claimed
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 2238/4885MCHR1 4238/4885RAF1 462/4885

“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.