SCHEMBL1285459

SCHEMBL1285459

CCOC(=O)c1cnc2cc(Br)cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
MAOB P27338 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK1 P28482 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7992224 0.84 CYP2C9 (0.53) CYP2C19CYP2C9MAOBNPC1RAB9A
SCHEMBL16047061 0.83 CA12 (0.54) CYP2C19CYP2C9MAOBNPC1RAB9A
SCHEMBL4538765 0.82 MAOB (0.61) CYP2C19CYP2C9MAOBNPC1RAB9A
SCHEMBL1285625 0.82 MAPK1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15215110 0.80 CYP2C9 (0.43) CYP2C19CYP2C9MAOBNPC1RAB9A
SCHEMBL158686 0.80 CYP2C19 (0.70) CYP2C19CYP2C9SMN1; SMN2CYP1A2CYP3A4
SCHEMBL29597594 0.80 CYP2C19 (0.70) CYP2C19CYP2C9SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31403713 0.80 MAOB (0.60) CYP2C19CYP2C9MAOBNPC1RAB9A
SCHEMBL23574715 0.80 TSHR (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL21355583 0.80 NPC1 (0.55) MAOBNPC1RAB9ASMN1; SMN2CA12

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
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CYP2C19 2552/4885CYP2C9 2386/4885MAOB 3327/4885

“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.