SCHEMBL16616532

SCHEMBL16616532

COc1ccc(C(=O)/C=C/c2cccnc2Nc2cc(OC)c(OC)c(OC)c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.54
CYP1A1 P04798 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP1B1 Q16678 2/20 0.52
ABCB1 P08183 7/20 0.51
TNFRSF1A P19438 4/20 0.50
ABCC1 P33527 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL16616533 1.00 ABCG2 (0.54) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616869 0.94 ABCB1 (0.52) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616871 0.94 ABCB1 (0.52) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616602 0.94 ABCB1 (0.56) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616603 0.94 ABCB1 (0.56) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616971 0.93 ABCG2 (0.57) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616972 0.93 ABCG2 (0.57) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616448 0.91 TUBB1 (0.51) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616447 0.91 TUBB1 (0.51) ABCG2CYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL16616238 0.90 CA1 (0.58) ABCG2CYP1A1CYP1A2CYP1B1ABCB1

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 4 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-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
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 289/4885CYP1A1 627/4885CYP1A2 387/4885

“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.