SCHEMBL2815487

SCHEMBL2815487

CC(=O)Oc1ccc(Cc2nc(C(N)=O)c(NC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.45
MEN1 O00255 12/20 0.45
MAPT P10636 11/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PABPC1 P11940 1/20 0.39
GAA P10253 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL2818220 0.88 SAE1 (0.42) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2815483 0.86 MEN1 (0.48) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2814139 0.85 KMT2A (0.44) KMT2AMEN1MAPTRAB9ACA12
SCHEMBL2814845 0.84 CA12 (0.43) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2816797 0.84 SAE1 (0.49) KMT2AMEN1MAPTRAB9AMAPK1
SCHEMBL2817131 0.83 ABCG2 (0.50) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2816748 0.82 PDE2A (0.43) MAPTSMN1; SMN2HTT
SCHEMBL2813764 0.81 CCNC (0.39) KMT2AMEN1MAPTRAB9AMAPK1
SCHEMBL2815632 0.81 KDR (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2814969 0.80 FLT3 (0.43) KMT2AMEN1MAPTCA2LMNA

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 KMT2A 1034/4885MEN1 171/4885MAPT 3810/4885

“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.