SCHEMBL16616406

SCHEMBL16616406

Nc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 7/20 0.44
BCHE P06276 2/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 4/20 0.44
MAOA P21397 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL16616407 1.00 CYP1B1 (0.47) CYP1B1CYP3A4MAPTALDH1A1LMNA
SCHEMBL16616819 0.91 MAOB (0.56) CYP1B1MAPTALDH1A1LMNAMAOB
SCHEMBL16616821 0.91 MAOB (0.56) CYP1B1MAPTALDH1A1LMNAMAOB
SCHEMBL16616522 0.88 MAPT (0.59) CYP3A4MAPTALDH1A1MAOBRAB9A
SCHEMBL16616523 0.88 MAPT (0.59) CYP3A4MAPTALDH1A1MAOBRAB9A
SCHEMBL16616511 0.85 CYP3A4 (0.50) CYP1B1CYP3A4MAPTLMNAMAOB
SCHEMBL16616508 0.85 CYP3A4 (0.50) CYP1B1CYP3A4MAPTLMNAMAOB
SCHEMBL16616859 0.85 BCHE (0.54) CYP1B1CYP3A4MAPTALDH1A1BCHE
SCHEMBL16616861 0.85 BCHE (0.54) CYP1B1CYP3A4MAPTALDH1A1BCHE
SCHEMBL16616789 0.85 ALDH1A1 (0.47) MAPTALDH1A1LMNAMAOBRAB9A

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 CYP1B1 70/4885CYP3A4 930/4885MAPT 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.