SCHEMBL16616636

SCHEMBL16616636

COc1ccc(Nc2ncccc2C=CC(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.57
TNFRSF1A P19438 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
MAOB P27338 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ABCB1 P08183 5/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 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
SCHEMBL16616635 1.00 ABCG2 (0.57) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616491 0.94 MAOB (0.55) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616490 0.94 MAOB (0.55) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616972 0.93 ABCG2 (0.57) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616971 0.93 ABCG2 (0.57) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616851 0.92 ABCG2 (0.54) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616846 0.92 ABCG2 (0.54) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616401 0.92 ABCG2 (0.58) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616400 0.92 ABCG2 (0.58) ABCG2TNFRSF1AMEN1KMT2AMAPT
SCHEMBL16616374 0.91 MAOB (0.49) ABCG2TNFRSF1AMEN1KMT2AMAPT

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 1747/4885MEN1 2511/4885

“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.