SCHEMBL16616744

SCHEMBL16616744

COc1ccc(/C=C/C(=O)c2cccnc2Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
NTSR1 P30989 1/20 0.49
MAPT P10636 8/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
NPC1 O15118 4/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KRAS P01116 2/20 0.47
PAX8 Q06710 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.45
ABCB1 P08183 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNH2 Q12809 1/20 0.44
TUBB4A P04350 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
SCHEMBL16616746 1.00 RAB9A (0.49) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616510 0.94 CYP19A1 (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616507 0.94 CYP19A1 (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616668 0.93 MAPT (0.54) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616444 0.93 MAPT (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616443 0.93 MAPT (0.52) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616666 0.93 MAPT (0.54) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616234 0.93 MAPT (0.51) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616236 0.93 MAPT (0.51) RAB9ANTSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16616676 0.92 MEN1 (0.52) RAB9ANTSR1MAPTALDH1A1NPSR1

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 RAB9A 1415/4885NTSR1 3967/4885MAPT 2681/4885

“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.