SCHEMBL16616304

SCHEMBL16616304

COc1ccc(Nc2ncccc2C=CC(=O)c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNH2 Q12809 1/20 0.48
ABCG2 Q9UNQ0 6/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
NTSR1 P30989 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL16616303 1.00 MAPT (0.48) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616413 0.92 KRAS (0.48) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616414 0.92 KRAS (0.48) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616422 0.89 ABCG2 (0.52) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL16616507 0.89 CYP19A1 (0.52) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616419 0.89 ABCG2 (0.52) MAPTALDH1A1MEN1KMT2AABCG2
SCHEMBL16616510 0.89 CYP19A1 (0.52) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616158 0.89 MAPK8 (0.51) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616159 0.89 MAPK8 (0.51) MAPTRAB9AALDH1A1NPC1MEN1
SCHEMBL16616612 0.88 RAB9A (0.46) MAPTRAB9AALDH1A1NPC1MEN1

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 2681/4885RAB9A 1415/4885ALDH1A1 1497/4885

“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.