SCHEMBL16616445

SCHEMBL16616445

COc1ccc(Nc2ncccc2C(=O)C=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NTSR1 P30989 1/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ABCG2 Q9UNQ0 7/20 0.49
ABCB1 P08183 4/20 0.49
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.47
MAOB P27338 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL16616442 1.00 RAB9A (0.52) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616367 0.92 TUBB4A (0.53) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616366 0.92 TUBB4A (0.53) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616668 0.92 MAPT (0.54) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616744 0.92 RAB9A (0.49) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616443 0.92 MAPT (0.52) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616746 0.92 RAB9A (0.49) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616666 0.92 MAPT (0.54) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616444 0.92 MAPT (0.52) RAB9ANTSR1MAPTALDH1A1NPC1
SCHEMBL16616236 0.92 MAPT (0.51) RAB9ANTSR1MAPTALDH1A1NPC1

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 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.