SCHEMBL16616401

SCHEMBL16616401

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.58
TNFRSF1A P19438 1/20 0.57
ABCB1 P08183 8/20 0.56
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL16616400 1.00 ABCG2 (0.58) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616972 0.93 ABCG2 (0.57) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616971 0.93 ABCG2 (0.57) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616851 0.92 ABCG2 (0.54) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616636 0.92 ABCG2 (0.57) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616635 0.92 ABCG2 (0.57) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616846 0.92 ABCG2 (0.54) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616463 0.91 ABCG2 (0.47) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616573 0.91 ABCG2 (0.58) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2
SCHEMBL16616565 0.91 ABCG2 (0.53) ABCG2TNFRSF1AABCB1CYP1A1CYP1A2

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 289/4885TNFRSF1A 1747/4885ABCB1 537/4885

“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.