SCHEMBL7030699

SCHEMBL7030699

CC(=O)Nc1c(F)c(F)c(C#N)c(F)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL5488909 0.78 ALDH1A1 (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL9725076 0.77 MAPT (0.42) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL8112444 0.75 ALDH1A1 (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL7035124 0.75 SMN1; SMN2 (0.44) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL11310115 0.73 VCAM1 (0.34) MAPTKDM4EALDH1A1POLB
SCHEMBL25786825 0.73 TDP1 (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL5866615 0.71 MAPT (0.47) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21684641 0.71 MAPT (0.44) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL31569422 0.70 MAPT (0.43) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL11440526 0.70 HTT (0.47) MAPTGAAKDM4EALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 MAPT 3505/4885GAA 214/4885KDM4E 588/4885

“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.