SCHEMBL16616600

SCHEMBL16616600

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NTSR1 P30989 1/20 0.48
DHODH Q02127 1/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 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
SCHEMBL16616597 1.00 MAPT (0.49) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616666 0.92 MAPT (0.54) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616746 0.92 RAB9A (0.49) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616668 0.92 MAPT (0.54) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616444 0.92 MAPT (0.52) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616443 0.92 MAPT (0.52) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616744 0.92 RAB9A (0.49) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616236 0.92 MAPT (0.51) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616234 0.92 MAPT (0.51) MAPTALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL16616793 0.91 RAB9A (0.48) MAPTALDH1A1SMN1; SMN2RAB9ALMNA

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 MAPT 2681/4885ALDH1A1 1497/4885SMN1; SMN2 4456/4885

“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.