SCHEMBL16616307

SCHEMBL16616307

COc1ccc(C=CC(=O)c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NTSR1 P30989 1/20 0.46
KRAS P01116 2/20 0.46
MAPT P10636 6/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.45
TUBB1 Q9H4B7 1/20 0.45
ABCG2 Q9UNQ0 6/20 0.43
ABCB1 P08183 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 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
SCHEMBL16616305 1.00 RAB9A (0.46) RAB9ANTSR1KRASMAPTNPC1
SCHEMBL16616507 0.92 CYP19A1 (0.52) RAB9ANTSR1KRASMAPTNPC1
SCHEMBL16616510 0.92 CYP19A1 (0.52) RAB9ANTSR1KRASMAPTNPC1
SCHEMBL16616744 0.91 RAB9A (0.49) RAB9ANTSR1KRASMAPTNPC1
SCHEMBL16616746 0.91 RAB9A (0.49) RAB9ANTSR1KRASMAPTNPC1
SCHEMBL16616678 0.90 MEN1 (0.52) RAB9ANTSR1KRASMAPTALDH1A1
SCHEMBL16616676 0.90 MEN1 (0.52) RAB9ANTSR1KRASMAPTALDH1A1
SCHEMBL16616524 0.88 ALDH1A1 (0.55) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL16616471 0.88 TUBB1 (0.48) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL16616525 0.88 ALDH1A1 (0.55) RAB9AMAPTNPC1ALDH1A1MEN1

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 RAB9A 1415/4885NTSR1 3967/4885KRAS 1079/4885

“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.