SCHEMBL16616508

SCHEMBL16616508

Nc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
BCHE P06276 1/20 0.49
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
RAB9A P51151 3/20 0.45
CAPN1 P07384 1/20 0.45
MAOB P27338 3/20 0.44
P4HB P07237 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CYP1B1 Q16678 2/20 0.44
CHRNA7 P36544 1/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16616511 1.00 CYP3A4 (0.50) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616861 0.90 BCHE (0.54) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616859 0.90 BCHE (0.54) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616767 0.89 SMN1; SMN2 (0.50) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616766 0.89 SMN1; SMN2 (0.50) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616832 0.89 DHODH (0.50) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616736 0.89 MAPT (0.52) CYP3A4MAPTKMT2AMEN1HSP90AA1
SCHEMBL16616834 0.89 DHODH (0.50) CYP3A4BCHEMAPTKMT2AMEN1
SCHEMBL16616735 0.89 MAPT (0.52) CYP3A4MAPTKMT2AMEN1HSP90AA1
SCHEMBL16625555 0.87 CYP3A4 (0.47) CYP3A4BCHEMAPTKMT2AMEN1

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 CYP3A4 930/4885BCHE 4089/4885MAPT 2681/4885

“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.