SCHEMBL2814845

SCHEMBL2814845

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 0.43
RAF1 P04049 3/20 0.42
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
EPHX2 P34913 4/20 0.41
EPHX1 P07099 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 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

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
SCHEMBL2815632 0.89 KDR (0.46) CA12CA1CA2CA9MAPT
SCHEMBL2818220 0.89 SAE1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL2814139 0.88 KMT2A (0.44) CA12CA1CA2CA9MAPT
SCHEMBL2814844 0.86 EPHX2 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL2813764 0.86 CCNC (0.39) MAPTNTRK1RAB9AMEN1LMNA
SCHEMBL2814969 0.86 FLT3 (0.43) CA2MAPTNTRK1NTRK2MEN1
SCHEMBL2816415 0.85 HRH3 (0.40) MAPTNTRK1NTRK2NPC1RAB9A
SCHEMBL2816797 0.85 SAE1 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL2816533 0.84 SAE1 (0.48) MAPTRAF1NTRK1NTRK2NPC1
SCHEMBL2815487 0.84 KMT2A (0.45) CA12CA1CA2CA9MAPT

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 2 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

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 CA12 2457/4885CA1 2279/4885CA2 2001/4885

“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.