SCHEMBL16627432

SCHEMBL16627432

CC(=O)c1cccnc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.57
MAPT P10636 9/20 0.57
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
NPC1 O15118 7/20 0.57
ALDH1A1 P00352 5/20 0.57
KCNH2 Q12809 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
AHR P35869 1/20 0.52
DHODH Q02127 4/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL16627429 0.81 MAPT (0.58) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16627424 0.81 ALDH1A1 (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL846930 0.81 DHODH (0.76) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL4810235 0.80 MAPT (0.53) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL4807203 0.80 ABCG2 (0.52) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616388 0.80 RAB9A (0.76) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616643 0.80 DHODH (0.76) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16627387 0.79 MAPT (0.44) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL16616459 0.78 MEN1 (0.80) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL18388841 0.77 ABCG2 (0.52) RAB9AMAPTMEN1KMT2ANPC1

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 RAB9A 1415/4885MAPT 2681/4885MEN1 2511/4885

“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.