SCHEMBL16616819

SCHEMBL16616819

O=C(/C=C/c1cccnc1Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 4/20 0.56
CYP1B1 Q16678 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DHODH Q02127 1/20 0.46
MAPT P10636 8/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
PIN1 Q13526 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL16616821 1.00 MAOB (0.56) MAOBMAOACYP1B1RAB9ASMN1; SMN2
SCHEMBL16616472 0.91 RAB9A (0.53) MAOBMAOARAB9ASMN1; SMN2MEN1
SCHEMBL16616470 0.91 RAB9A (0.53) MAOBMAOARAB9ASMN1; SMN2MEN1
SCHEMBL16616407 0.91 CYP1B1 (0.47) MAOBMAOACYP1B1RAB9ASMN1; SMN2
SCHEMBL16616406 0.91 CYP1B1 (0.47) MAOBMAOACYP1B1RAB9ASMN1; SMN2
SCHEMBL16616849 0.90 SMN1; SMN2 (0.54) MAOBCYP1B1RAB9ASMN1; SMN2MEN1
SCHEMBL16616847 0.90 SMN1; SMN2 (0.54) MAOBCYP1B1RAB9ASMN1; SMN2MEN1
SCHEMBL16616523 0.87 MAPT (0.59) MAOBMAOARAB9ASMN1; SMN2MEN1
SCHEMBL16616522 0.87 MAPT (0.59) MAOBMAOARAB9ASMN1; SMN2MEN1
SCHEMBL16616735 0.86 MAPT (0.52) MAOBCYP1B1RAB9ASMN1; SMN2MEN1

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 MAOB 2125/4885MAOA 3198/4885CYP1B1 70/4885

“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.