SCHEMBL16616726

SCHEMBL16616726

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2Cl)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.48
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 2/20 0.43
DPP4 P27487 3/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 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
SCHEMBL16616723 1.00 ABCG2 (0.48) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616657 0.92 ABCG2 (0.58) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616658 0.92 ABCG2 (0.58) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616113 0.90 MAPT (0.50) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616111 0.90 MAPT (0.50) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616450 0.86 ABCB1 (0.48) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616452 0.86 ABCB1 (0.48) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616543 0.86 DPP4 (0.49) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616545 0.86 DPP4 (0.49) ABCG2LMNAMAPTHPGDNPC1
SCHEMBL16616506 0.86 MAOB (0.55) LMNAMAPTHPGDNPC1CYP1A2

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 ABCG2 289/4885LMNA 1571/4885MAPT 2681/4885

“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.