SCHEMBL16616859

SCHEMBL16616859

Nc1ccc(C(=O)/C=C/c2cccnc2Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.54
CYP1B1 Q16678 2/20 0.52
CYP3A4 P08684 5/20 0.52
DHODH Q02127 2/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 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
SCHEMBL16616861 1.00 BCHE (0.54) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616508 0.90 CYP3A4 (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616511 0.90 CYP3A4 (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616767 0.89 SMN1; SMN2 (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616766 0.89 SMN1; SMN2 (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616832 0.89 DHODH (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616834 0.89 DHODH (0.50) BCHECYP1B1CYP3A4DHODHMAPT
SCHEMBL16616361 0.89 MAPT (0.54) CYP1B1CYP3A4DHODHMAPTALDH1A1
SCHEMBL16616358 0.89 MAPT (0.54) CYP1B1CYP3A4DHODHMAPTALDH1A1
SCHEMBL16625555 0.87 CYP3A4 (0.47) BCHECYP1B1CYP3A4DHODHMAPT

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 BCHE 4089/4885CYP1B1 70/4885CYP3A4 930/4885

“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.