SCHEMBL13780779

SCHEMBL13780779

CCc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
MAPT P10636 7/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.48
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
MEN1 O00255 4/20 0.46
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
ALOX12 P18054 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
SCHEMBL10308060 0.87 MGLL (0.52) MGLLMAPTKMT2ARAB9ANPC1
SCHEMBL4286884 0.83 MAPT (0.47) MGLLMAPTKMT2ARAB9ANPC1
SCHEMBL13780774 0.83 MAPT (0.57) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL31308883 0.83 MAPT (0.57) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL24064687 0.82 ALDH1A1 (0.56) MAPTKMT2ARAB9AGAAMEN1
SCHEMBL4591172 0.81 ATM (0.59) MAPTKMT2ASMN1; SMN2GAAATM
SCHEMBL3573967 0.80 MAPT (0.66) MGLLMAPTKMT2ARAB9ANPC1
SCHEMBL31522076 0.80 MAPT (0.59) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3630807 0.79 MAPT (0.46) MGLLMAPTKMT2ARAB9ANPC1
SCHEMBL12694410 0.78 MEN1 (0.63) MAPTKMT2ASMN1; SMN2GAAMEN1

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-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 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-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MGLL 1624/4885MAPT 2514/4885KMT2A 3850/4885

“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.