SCHEMBL16616545

SCHEMBL16616545

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
PREP P48147 1/20 0.49
DPP9 Q86TI2 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
LMNA P02545 7/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL16616543 1.00 DPP4 (0.49) DPP4PREPDPP9ABCG2LMNA
SCHEMBL16616247 0.91 MAPT (0.50) DPP4PREPDPP9ABCG2LMNA
SCHEMBL16616250 0.91 MAPT (0.50) DPP4PREPDPP9ABCG2LMNA
SCHEMBL16616658 0.89 ABCG2 (0.58) DPP4ABCG2LMNAMAPTALDH1A1
SCHEMBL16616657 0.89 ABCG2 (0.58) DPP4ABCG2LMNAMAPTALDH1A1
SCHEMBL16616726 0.86 ABCG2 (0.48) DPP4ABCG2LMNAMAPTALDH1A1
SCHEMBL16616723 0.86 ABCG2 (0.48) DPP4ABCG2LMNAMAPTALDH1A1
SCHEMBL16616476 0.86 KMT2A (0.55) DPP4PREPDPP9ABCG2LMNA
SCHEMBL16616474 0.86 KMT2A (0.55) DPP4PREPDPP9ABCG2LMNA
SCHEMBL16616979 0.85 MAPT (0.49) DPP4PREPDPP9ABCG2LMNA

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 DPP4 4546/4885PREP 3162/4885DPP9 4070/4885

“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.