SCHEMBL16616510

SCHEMBL16616510

COc1ccc(C=CC(=O)c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
PTGS2 P35354 1/20 0.52
ABCG2 Q9UNQ0 8/20 0.51
ABCB1 P08183 5/20 0.51
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
RAB9A P51151 3/20 0.48
NTSR1 P30989 1/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
KRAS P01116 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL16616507 1.00 CYP19A1 (0.52) CYP19A1PTGS2ABCG2ABCB1ACHE
SCHEMBL16616746 0.94 RAB9A (0.49) CYP19A1PTGS2ABCG2ABCB1RAB9A
SCHEMBL16616744 0.94 RAB9A (0.49) CYP19A1PTGS2ABCG2ABCB1RAB9A
SCHEMBL16616678 0.93 MEN1 (0.52) PTGS2ABCG2ABCB1ACHEMAOB
SCHEMBL16616676 0.93 MEN1 (0.52) PTGS2ABCG2ABCB1ACHEMAOB
SCHEMBL16616305 0.92 RAB9A (0.46) CYP19A1PTGS2ABCG2ABCB1ACHE
SCHEMBL16616307 0.92 RAB9A (0.46) CYP19A1PTGS2ABCG2ABCB1ACHE
SCHEMBL16616897 0.91 KRAS (0.60) PTGS2ABCG2ABCB1RAB9ANTSR1
SCHEMBL16616893 0.91 KRAS (0.60) PTGS2ABCG2ABCB1RAB9ANTSR1
SCHEMBL16616304 0.89 MAPT (0.48) ABCG2ABCB1RAB9ANTSR1NPC1

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 CYP19A1 525/4885PTGS2 1188/4885ABCG2 289/4885

“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.