SCHEMBL16625543

SCHEMBL16625543

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 11/20 0.48
ABCB1 P08183 7/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
TNFRSF1A P19438 5/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL16625582 0.92 ABCG2 (0.39) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16625577 0.91 CTSL (0.45) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16625545 0.91 MAOB (0.48) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16625565 0.91 ABCB1 (0.46) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16625568 0.90 MAPT (0.49) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16625588 0.90 ABCG2 (0.40) ABCG2ABCB1MEN1LMNAMAPT
SCHEMBL16625544 0.89 ALDH1A1 (0.44) ABCG2MEN1LMNAMAPTKMT2A
SCHEMBL16625574 0.89 ABCG2 (0.49) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16616972 0.87 ABCG2 (0.57) ABCG2ABCB1CYP1A1CYP1A2CYP1B1
SCHEMBL16616971 0.87 ABCG2 (0.57) ABCG2ABCB1CYP1A1CYP1A2CYP1B1

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 289/4885ABCB1 537/4885CYP1A1 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.