SCHEMBL16616463

SCHEMBL16616463

COc1ccc(C(=O)/C=C/c2cccnc2Nc2ccccc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.47
ABCB1 P08183 6/20 0.46
TNFRSF1A P19438 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
BCHE P06276 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A1 P04798 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP1B1 Q16678 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
RELA Q04206 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
MAOB P27338 2/20 0.43

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
SCHEMBL16616464 1.00 ABCG2 (0.47) ABCG2ABCB1TNFRSF1AMAPTNPC1
SCHEMBL16616374 0.92 MAOB (0.49) ABCG2ABCB1TNFRSF1AMAPTNPC1
SCHEMBL16616371 0.92 MAOB (0.49) ABCG2ABCB1TNFRSF1AMAPTNPC1
SCHEMBL16616261 0.92 CAPN1 (0.49) ABCG2ABCB1MAPTRELANR1H4
SCHEMBL16616259 0.92 CAPN1 (0.49) ABCG2ABCB1MAPTRELANR1H4
SCHEMBL16616111 0.91 MAPT (0.50) ABCG2ABCB1MAPTNPC1LMNA
SCHEMBL16616113 0.91 MAPT (0.50) ABCG2ABCB1MAPTNPC1LMNA
SCHEMBL16616563 0.91 RELA (0.51) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616566 0.91 RELA (0.51) ABCG2ABCB1MAPTCYP1A1CYP1A2
SCHEMBL16616284 0.91 ABCG2 (0.49) ABCG2ABCB1TNFRSF1AMAPTCYP1A1

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 6 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-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
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 537/4885TNFRSF1A 1747/4885

“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.