SCHEMBL2814844

SCHEMBL2814844

NC(=O)c1nc(Cc2ccc(OCC(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
ALOX5 P09917 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.42
RNASEH1 O60930 1/20 0.40
EPHX1 P07099 2/20 0.40
RAF1 P04049 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
HTT P42858 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
SCHEMBL2813209 0.92 LMNA (0.47) EPHX2ALOX5CA12CA1CA2
SCHEMBL2815628 0.89 MAPT (0.44) EPHX2ALOX5CA12CA1CA2
SCHEMBL17957266 0.89 MAPT (0.43) CA12CA1CA2CA9MAPT
SCHEMBL2812979 0.89 MAPT (0.40) CA12CA1CA2CA9MAPT
SCHEMBL2815561 0.88 MAPT (0.44) MAPTMEN1NPC1KMT2AALDH1A1
SCHEMBL2816767 0.88 MEN1 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL2816333 0.87 RAB9A (0.43) EPHX2CA12CA1CA2CA9
SCHEMBL2816883 0.87 GRIN1 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL13133002 0.87 HTR2C (0.42) MAPTMEN1NPC1LMNAKMT2A
SCHEMBL2814845 0.86 CA12 (0.43) EPHX2ALOX5CA12CA1CA2

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
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
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 2238/4885ALOX5 4251/4885CA12 2457/4885

“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.