SCHEMBL16616613

SCHEMBL16616613

COc1cc(C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.60
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
NTSR1 P30989 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
ABCB1 P08183 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
TNFRSF1A P19438 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
POLB P06746 2/20 0.44
PTGS2 P35354 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
SCHEMBL16616615 1.00 KRAS (0.60) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616422 0.91 ABCG2 (0.52) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616419 0.91 ABCG2 (0.52) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616414 0.90 KRAS (0.48) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616413 0.90 KRAS (0.48) KRASALDH1A1LMNANTSR1TDP1
SCHEMBL16616421 0.88 POLB (0.56) KRASALDH1A1LMNAMAPTHTT
SCHEMBL16616875 0.88 ABCB1 (0.52) KRASTDP1ABCB1GAATNFRSF1A
SCHEMBL16616870 0.88 ABCB1 (0.52) KRASTDP1ABCB1GAATNFRSF1A
SCHEMBL16616423 0.88 POLB (0.56) KRASALDH1A1LMNAMAPTHTT
SCHEMBL16616217 0.87 TNFRSF1A (0.57) KRASLMNAMAPTABCB1TNFRSF1A

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 KRAS 1079/4885ALDH1A1 1497/4885LMNA 1571/4885

“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.