SCHEMBL16625587

SCHEMBL16625587

COc1ccc(C(=O)/C=C/c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
LMNA P02545 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
NTSR1 P30989 1/20 0.48
KRAS P01116 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DPP4 P27487 1/20 0.46
PREP P48147 1/20 0.46
DPP9 Q86TI2 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL16616827 0.93 MAPT (0.49) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616376 0.93 MAPT (0.51) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616830 0.93 MAPT (0.49) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616377 0.93 MAPT (0.51) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616474 0.93 KMT2A (0.55) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616476 0.93 KMT2A (0.55) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616422 0.93 ABCG2 (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL16616419 0.93 ABCG2 (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL16616250 0.92 MAPT (0.50) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL16616394 0.92 LMNA (0.48) ALDH1A1MAPTLMNANPSR1KMT2A

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 4 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-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 1497/4885MAPT 2681/4885LMNA 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.