SCHEMBL16616286

SCHEMBL16616286

O=C(/C=C/c1cccnc1Nc1ccc([N+](=O)[O-])cc1)c1cccnc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
DHODH Q02127 4/20 0.50
NPC1 O15118 3/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
PAK4 O96013 1/20 0.44
ABL1 P00519 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL16616288 1.00 MEN1 (0.50) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616713 0.93 RAB9A (0.47) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616715 0.93 RAB9A (0.47) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616470 0.92 RAB9A (0.53) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616472 0.92 RAB9A (0.53) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616271 0.92 DHODH (0.53) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616274 0.92 DHODH (0.53) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616502 0.86 DHODH (0.47) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616500 0.86 DHODH (0.47) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL16616675 0.86 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1RAB9AMAPT

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 6 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-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
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 MEN1 2511/4885KMT2A 2973/4885ALDH1A1 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.