SCHEMBL16616788

SCHEMBL16616788

COc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NTSR1 P30989 1/20 0.47
KRAS P01116 2/20 0.46
MAPT P10636 7/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCG2 Q9UNQ0 5/20 0.42
RELA Q04206 3/20 0.42
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL16616789 1.00 ALDH1A1 (0.47) ALDH1A1LMNATDP1NTSR1KRAS
SCHEMBL16616422 0.92 ABCG2 (0.52) ALDH1A1LMNATDP1NTSR1KRAS
SCHEMBL16616419 0.92 ABCG2 (0.52) ALDH1A1LMNATDP1NTSR1KRAS
SCHEMBL16625587 0.90 ALDH1A1 (0.49) ALDH1A1LMNATDP1NTSR1KRAS
SCHEMBL16616371 0.88 MAOB (0.49) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL16616374 0.88 MAOB (0.49) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL16616261 0.88 CAPN1 (0.49) TDP1MAPTABCG2RELAABCB1
SCHEMBL16616259 0.88 CAPN1 (0.49) TDP1MAPTABCG2RELAABCB1
SCHEMBL16616463 0.88 ABCG2 (0.47) LMNAMAPTABCG2RELAABCB1
SCHEMBL16616464 0.88 ABCG2 (0.47) LMNAMAPTABCG2RELAABCB1

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 ALDH1A1 1497/4885LMNA 1571/4885TDP1 4172/4885

“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.