SCHEMBL16616658

SCHEMBL16616658

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2Cl)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.58
CYP1A2 P05177 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
LMNA P02545 5/20 0.47
MAPT P10636 4/20 0.47
ABCB1 P08183 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
POLB P06746 1/20 0.46
TNFRSF1A P19438 2/20 0.46
ATM Q13315 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL16616657 1.00 ABCG2 (0.58) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616723 0.92 ABCG2 (0.48) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616726 0.92 ABCG2 (0.48) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616450 0.91 ABCB1 (0.48) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616452 0.91 ABCB1 (0.48) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616573 0.89 ABCG2 (0.58) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616575 0.89 ABCG2 (0.58) ABCG2CYP1A2CYP1A1CYP1B1LMNA
SCHEMBL16616543 0.89 DPP4 (0.49) ABCG2CYP1A2LMNAMAPTHPGD
SCHEMBL16616545 0.89 DPP4 (0.49) ABCG2CYP1A2LMNAMAPTHPGD
SCHEMBL16616505 0.89 MAOB (0.55) CYP1A2CYP1A1CYP1B1LMNAMAPT

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 289/4885CYP1A2 387/4885CYP1A1 627/4885

“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.