SCHEMBL3663528

SCHEMBL3663528

CCN(C)C(NCc1ccc(Cl)nc1)=C(C)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
FAAH O00519 1/20 0.41
CYP2C9 P11712 2/20 0.39
NAMPT P43490 2/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CASP6 P55212 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL3668188 1.00 ALDH1A1 (0.41) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL888609 0.79 FAAH (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL2801383 0.79 FAAH (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL7657363 0.75 FAAH (0.44) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL9703437 0.75 FAAH (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL7664015 0.74 ALDH1A1 (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL8404155 0.74 ALDH1A1 (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL5001740 0.73 ALDH1A1 (0.42) ALDH1A1CYP2C9MAPTCHRNB2CHRNA4
SCHEMBL7104208 0.72 FAAH (0.43) ALDH1A1FAAHCYP2C9NAMPTMAPT
SCHEMBL7106276 0.72 NAMPT (0.41) ALDH1A1FAAHCYP2C9NAMPTMAPT

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
EP-1776116-B1 VETERINARY COMPOSITION COMPRISING AN ARYLPYRAZOLE AND A NITROENAMINE WITH ENHANCED ANTIPARASITIC ACTIVITY INTERVET INT BV (NL) 2010-09-29 EP claimed
US-20070142447-A1 Veterinary composition comprising an arylpyrazole and a nitroenamine with enhanced antiparasitic activity INTERVET INTERNATIONAL B.V. (NL) 2007-06-21 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-20070142447-A1 Veterinary composition comprising an arylpyrazole and a nitroenamine with enhanced antiparasitic activity AADAC, NISCH, NAT1 ALDH1A1 1354/4885FAAH 607/4885CYP2C9 133/4885

“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.