SCHEMBL10140684

SCHEMBL10140684

CC(=O)C(=[N+]=[N-])C(=O)Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
SRD5A2 P31213 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL8749059 0.84 CES1 (0.57) KMT2AMEN1L3MBTL1CES2CES1
SCHEMBL22609299 0.80 MEN1 (0.46) KMT2AMEN1EGFRERBB2L3MBTL1
SCHEMBL9404025 0.80 KDM4E (0.37) EGFRERBB2KDM4ECES2CES1
SCHEMBL10140749 0.74 ALDH1A1 (0.49) KMT2AMEN1L3MBTL1NPC1
SCHEMBL1290043 0.74 F2 (0.57) KMT2AMEN1EGFRERBB2L3MBTL1
SCHEMBL8749106 0.74 ALDH1A1 (0.46) L3MBTL1
SCHEMBL7642 0.72 POLB (0.52) KMT2AMEN1EGFRERBB2L3MBTL1
SCHEMBL10439461 0.71 L3MBTL1 (0.47) KMT2AMEN1EGFRERBB2L3MBTL1
SCHEMBL17802306 0.70 EGFR (0.44) KMT2AMEN1EGFRERBB2L3MBTL1
SCHEMBL22609271 0.70 MAPT (0.39) KMT2AMEN1NPC1POLB

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 KMT2A 2422/4885MEN1 994/4885EGFR 1295/4885

“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.