SCHEMBL2813822

SCHEMBL2813822

COC(=O)c1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
P2RY1 P47900 1/20 0.42
EPHX2 P34913 2/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MTOR P42345 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PDGFRB P09619 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
SCHEMBL2814957 0.91 EPHX2 (0.47) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL2819274 0.90 EPHX2 (0.43) MAPTALDH1A1MEN1RAB9AKMT2A
SCHEMBL13132987 0.90 SAE1 (0.51) MAPTTP53MEN1RAB9AKMT2A
SCHEMBL2816965 0.89 EPHX2 (0.53) MAPTEPHX2NAMPTTBXA2RPTGDR
SCHEMBL2812870 0.89 EPHX2 (0.43) EPHX2TBXA2RPTGDRPTGDR2MTOR
SCHEMBL2813899 0.87 EPHX2 (0.46) MAPTMEN1RAB9AKMT2AHTT
SCHEMBL2815905 0.87 TBXA2R (0.42) MAPTTP53MEN1RAB9AKMT2A
SCHEMBL2815908 0.87 EPHX2 (0.44) EPHX2NAMPTTBXA2RPTGDRPTGDR2
SCHEMBL2816640 0.86 EPHX2 (0.45) MAPTMEN1RAB9AKMT2AHTT
SCHEMBL2817947 0.86 HIF1A (0.48) MAPTRAB9ANPC1MAPK1EPHX2

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 1 patent. 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

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 MAPT 3810/4885ALDH1A1 198/4885TP53 68/4885

“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.