SCHEMBL16616452

SCHEMBL16616452

COc1cc(C(=O)C=Cc2cccnc2Nc2ccc(Cl)cc2Cl)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.48
TNFRSF1A P19438 5/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
CYP1A2 P05177 3/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 2/20 0.45
NPC1 O15118 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1B1 Q16678 2/20 0.44
KRAS P01116 2/20 0.43
GRM5 P41594 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL16616450 1.00 ABCB1 (0.48) ABCB1TNFRSF1AABCG2CYP1A2LMNA
SCHEMBL16616657 0.91 ABCG2 (0.58) ABCB1TNFRSF1AABCG2CYP1A2LMNA
SCHEMBL16616658 0.91 ABCG2 (0.58) ABCB1TNFRSF1AABCG2CYP1A2LMNA
SCHEMBL16616604 0.89 ABCB1 (0.51) ABCB1TNFRSF1AABCG2CYP1A2LMNA
SCHEMBL16616607 0.89 ABCB1 (0.51) ABCB1TNFRSF1AABCG2CYP1A2LMNA
SCHEMBL16616505 0.87 MAOB (0.55) TNFRSF1ACYP1A2LMNACYP2D6NPC1
SCHEMBL16616506 0.87 MAOB (0.55) TNFRSF1ACYP1A2LMNACYP2D6NPC1
SCHEMBL16616723 0.86 ABCG2 (0.48) ABCG2CYP1A2LMNACYP2D6NPC1
SCHEMBL16616726 0.86 ABCG2 (0.48) ABCG2CYP1A2LMNACYP2D6NPC1
SCHEMBL16616602 0.86 ABCB1 (0.56) ABCB1TNFRSF1AABCG2CYP1A2CYP2D6

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 ABCB1 537/4885TNFRSF1A 1747/4885ABCG2 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.