SCHEMBL16616830

SCHEMBL16616830

COc1ccc(C(=O)C=Cc2cccnc2Nc2ccc(O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 4/20 0.49
DPP4 P27487 1/20 0.48
PREP P48147 1/20 0.48
DPP9 Q86TI2 1/20 0.48
HPGD P15428 1/20 0.46
CAPN1 P07384 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 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 1.00 MAPT (0.49) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16625587 0.93 ALDH1A1 (0.49) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616376 0.93 MAPT (0.51) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616377 0.93 MAPT (0.51) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616474 0.93 KMT2A (0.55) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616476 0.93 KMT2A (0.55) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616250 0.92 MAPT (0.50) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616394 0.92 LMNA (0.48) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616395 0.92 LMNA (0.48) MAPTALDH1A1KMT2ANPSR1MEN1
SCHEMBL16616247 0.92 MAPT (0.50) MAPTALDH1A1KMT2ANPSR1MEN1

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 MAPT 2681/4885ALDH1A1 1497/4885KMT2A 2973/4885

“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.