SCHEMBL16616422

SCHEMBL16616422

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.49
NTSR1 P30989 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ABCB1 P08183 4/20 0.48
ABCC1 P33527 1/20 0.48
KRAS P01116 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
HTT P42858 2/20 0.46
TNFRSF1A P19438 1/20 0.45

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
SCHEMBL16616419 1.00 ABCG2 (0.52) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16625587 0.93 ALDH1A1 (0.49) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616788 0.92 ALDH1A1 (0.47) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616789 0.92 ALDH1A1 (0.47) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616613 0.91 KRAS (0.60) ABCG2ALDH1A1MAPTLMNANTSR1
SCHEMBL16616615 0.91 KRAS (0.60) ABCG2ALDH1A1MAPTLMNANTSR1
SCHEMBL16616303 0.89 MAPT (0.48) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616304 0.89 MAPT (0.48) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616972 0.88 ABCG2 (0.57) ABCG2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16616971 0.88 ABCG2 (0.57) ABCG2ALDH1A1MAPTMEN1KMT2A

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 2 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-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 ABCG2 289/4885ALDH1A1 1497/4885MAPT 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.