SCHEMBL2815448

SCHEMBL2815448

NC(=O)c1nc(COc2ccc(CC(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.46
PPARA Q07869 4/20 0.46
PPARG P37231 2/20 0.46
MAOB P27338 2/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PPIA P62937 1/20 0.41
KDR P35968 2/20 0.40
FLT3 P36888 1/20 0.40
EPHX2 P34913 2/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
IDH1 O75874 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
MTOR P42345 1/20 0.39
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 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
SCHEMBL2816222 0.88 CDK8 (0.47) KDM4EPOLBKDRFLT3BRAF
SCHEMBL2812294 0.88 KDM4E (0.48) KDM4EPOLB
SCHEMBL2816636 0.88 KDM4E (0.46) MAOBKDM4EPOLBPPIAEPHX2
SCHEMBL2817001 0.85 KDM4E (0.46) PPARDKDM4EPOLBRXRA
SCHEMBL2815366 0.85 IDH1 (0.49) PPARDPPARAPPARGMAOBPPIA
SCHEMBL3989813 0.85 POLB (0.45) KDM4EPOLB
SCHEMBL2816392 0.84 KDM4E (0.51) PPARDKDM4EPOLB
SCHEMBL2812631 0.82 EPHX2 (0.44) EPHX2MTORRXRA
SCHEMBL13132987 0.80 SAE1 (0.51) KDM4EPOLBKDREPHX2
SCHEMBL2814469 0.80 EPHX2 (0.48) EPHX2MTOR

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
EP-2193122-B1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-08-03 EP 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 PPARD 1120/4885PPARA 3484/4885PPARG 2142/4885

“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.