SCHEMBL16627427

SCHEMBL16627427

O=Cc1cccnc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.50
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 5/20 0.48
GUCY1B2 O75343 1/20 0.47
GUCY1A2 P33402 1/20 0.47
GUCY1A1 Q02108 1/20 0.47
GUCY1B1 Q02153 1/20 0.47
ROCK1 Q13464 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KCNH2 Q12809 1/20 0.44
EGFR P00533 1/20 0.44
CXCR2 P25025 1/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 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
SCHEMBL21759457 0.87 ABCG2 (0.49) ABCG2HPGDALOX12L3MBTL1MAPT
SCHEMBL5962635 0.85 ALDH1A1 (0.62) ABCG2MAPTROCK1MEN1KMT2A
SCHEMBL16627387 0.81 MAPT (0.44) ABCG2HPGDALOX12L3MBTL1MAPT
SCHEMBL1376342 0.80 DHODH (0.56) ABCG2L3MBTL1MAPTMEN1KMT2A
SCHEMBL4810235 0.79 MAPT (0.53) ABCG2HPGDALOX12L3MBTL1MAPT
SCHEMBL4807203 0.79 ABCG2 (0.52) ABCG2HPGDALOX12L3MBTL1MAPT
SCHEMBL18388841 0.79 ABCG2 (0.52) ABCG2HPGDALOX12L3MBTL1MAPT
SCHEMBL5962729 0.79 VCAM1 (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL16627421 0.79 MEN1 (0.44) HPGDL3MBTL1MAPTMEN1KMT2A
SCHEMBL9402324 0.79 DHODH (0.57) MAPTMEN1KMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 289/4885HPGD 1283/4885ALOX12 2609/4885

“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.