SCHEMBL16616490

SCHEMBL16616490

COc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
TNFRSF1A P19438 3/20 0.54
ABCG2 Q9UNQ0 10/20 0.54
CYP3A4 P08684 1/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ABCB1 P08183 3/20 0.51
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL16616491 1.00 MAOB (0.55) MAOBTNFRSF1AABCG2CYP3A4MAPT
SCHEMBL16616636 0.94 ABCG2 (0.57) MAOBTNFRSF1AABCG2CYP3A4MAPT
SCHEMBL16616635 0.94 ABCG2 (0.57) MAOBTNFRSF1AABCG2CYP3A4MAPT
SCHEMBL16616971 0.93 ABCG2 (0.57) TNFRSF1AABCG2MAPTMEN1KMT2A
SCHEMBL16616972 0.93 ABCG2 (0.57) TNFRSF1AABCG2MAPTMEN1KMT2A
SCHEMBL16616738 0.92 CA1 (0.56) ABCG2CYP3A4MAPTMEN1KMT2A
SCHEMBL16616739 0.92 CA1 (0.56) ABCG2CYP3A4MAPTMEN1KMT2A
SCHEMBL16616547 0.91 MAPT (0.56) ABCG2CYP3A4MAPTMEN1KMT2A
SCHEMBL16616550 0.91 MAPT (0.56) ABCG2CYP3A4MAPTMEN1KMT2A
SCHEMBL16616864 0.90 ALDH1A1 (0.57) MAOBTNFRSF1AABCG2CYP3A4MAPT

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 MAOB 2125/4885TNFRSF1A 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.