SCHEMBL6695285

SCHEMBL6695285

N#Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 2/20 0.65
KCNH2 Q12809 2/20 0.65
POLB P06746 2/20 0.58
FAAH O00519 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP21A2 P08686 1/20 0.47
CYP11B1 P15538 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL22495390 0.84 DRD2 (0.56) KCNJ1KCNH2POLBALDH1A1MAPT
SCHEMBL6706031 0.84 MAPT (0.69) KCNJ1KCNH2FAAHALDH1A1KDM4E
SCHEMBL6863340 0.82 DRD4 (0.64) FAAHCYP17A1CYP21A2CYP11B1
SCHEMBL4506302 0.82 POLB (0.65) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL6647499 0.82 CYP17A1 (0.51) FAAHALDH1A1KDM4ECYP17A1CYP21A2
SCHEMBL1126947 0.81 POLB (0.75) POLBALDH1A1KDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL6700203 0.81 CYP17A1 (0.50) FAAHALDH1A1KDM4ECYP17A1CYP21A2
SCHEMBL27508754 0.80 DRD2 (0.51) FAAHALDH1A1KDM4ECYP17A1CYP21A2
SCHEMBL28024099 0.79 FAAH (0.63) KCNJ1KCNH2FAAHCYP11B1L3MBTL1
SCHEMBL20804353 0.79 FAAH (0.63) KCNJ1KCNH2FAAHCYP11B1L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044008-A1 Use of therapeutic benzamide derivatives DAUGAN ALAIN CLAUDE-MARIE (FR) 2004-03-04 US disclosed
WO-2003048121-A1 THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-12 WO disclosed
US-6552022-B1 Atherosclerosis in a mammal, pancreatitis, non-insulin dependent diabetes mellitus, coronary heart disease in a lowering serum lipid levels SMITHKLINE BEECHAM CORPORATION 2003-04-22 US disclosed
EP-1286670-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-03-05 EP disclosed
WO-2001097810-A2 USE OF THERAPEUTIC BENZAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-12-27 WO disclosed
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 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-20040044008-A1 Use of therapeutic benzamide derivatives MTTP, LIPC, CETP KCNJ1 2374/4885KCNH2 3416/4885POLB 2888/4885

“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.