SCHEMBL16627387

SCHEMBL16627387

CC(=O)/C=C/c1cccnc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
MAPK1 P28482 2/20 0.44
RHOA P61586 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KCNH2 Q12809 1/20 0.44
PPIF P30405 1/20 0.42
PPIA P62937 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
SNCA P37840 1/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL16627388 0.84 MAPT (0.45) MAPTNPC1RAB9AABCG2ALDH1A1
SCHEMBL16616406 0.83 CYP1B1 (0.47) MAPTNPC1RAB9AABCG2MAPK1
SCHEMBL16627417 0.83 MAPT (0.44) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL16616407 0.83 CYP1B1 (0.47) MAPTNPC1RAB9AABCG2MAPK1
SCHEMBL16616288 0.83 MEN1 (0.50) MAPTNPC1RAB9AABCG2MAPK1
SCHEMBL16616286 0.83 MEN1 (0.50) MAPTNPC1RAB9AABCG2MAPK1
SCHEMBL16627385 0.83 DHODH (0.56) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL16627386 0.83 RAB9A (0.56) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL16616715 0.82 RAB9A (0.47) MAPTNPC1RAB9AABCG2RHOA
SCHEMBL16616821 0.82 MAOB (0.56) MAPTNPC1RAB9AABCG2MAPK1

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-9006451-B1 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-14 US disclosed
US-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20150099888-A1 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof HCCS, WEE2, WEE1 MAPT 2681/4885NPC1 1383/4885RAB9A 1415/4885

“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.