SCHEMBL2812631

SCHEMBL2812631

NC(=O)c1nc(-c2ccc(CC(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
KIF11 P52732 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MTOR P42345 2/20 0.41
PARP1 P09874 1/20 0.41
PDE2A O00408 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RAF1 P04049 1/20 0.41
HPSE Q9Y251 1/20 0.40
NAMPT P43490 1/20 0.40
RORC P51449 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
SCHEMBL2818235 0.87 EPHX2 (0.56) EPHX2KIF11MTORPARP1CHEK2
SCHEMBL2812209 0.87 MEN1 (0.44) MEN1KMT2AHPSERORCCHEK2
SCHEMBL2819439 0.85 IDH1 (0.49) EPHX2KIF11MEN1KMT2ACHEK2
SCHEMBL2818258 0.84 KIF11 (0.43) KIF11MEN1KMT2AHPSERORC
SCHEMBL2816747 0.83 DGAT1 (0.44) MEN1KMT2AHPSERORC
SCHEMBL2815448 0.82 PPARD (0.46) EPHX2MTORRXRA
SCHEMBL2819129 0.80 MEN1 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL3993080 0.78 NR1H4 (0.46) KMT2AHPSECHEK2
SCHEMBL2814469 0.77 EPHX2 (0.48) EPHX2KIF11MEN1KMT2AMTOR
SCHEMBL2814782 0.77 HPSE (0.44) MEN1KMT2AHPSEMAPT

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 5 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
WO-2009046804-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-04-16 WO 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 2238/4885KIF11 2526/4885MEN1 171/4885

“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.