SCHEMBL7035124

SCHEMBL7035124

COc1c(F)c(F)c(NC(C)=O)c([N+](=O)[O-])c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
IDO1 P14902 1/20 0.39
PKM P14618 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KMT2A Q03164 5/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
EPHX1 P07099 1/20 0.33
ATM Q13315 1/20 0.33

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 0.80 ALDH1A1 (0.40) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL9725076 0.79 MAPT (0.42) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL5579678 0.77 CYP19A1 (0.53) MAPTKMT2AMEN1RAB9A
SCHEMBL8112444 0.76 ALDH1A1 (0.40) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL5866615 0.76 MAPT (0.47) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL28878765 0.75 GRIN2D (0.45) SMN1; SMN2KDM4EMAPTGAAPKM
SCHEMBL27317197 0.75 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL7030699 0.75 MAPT (0.36) SMN1; SMN2KDM4EMAPTGAACYP1A2
SCHEMBL15647870 0.75 CYP2C9 (0.49) SMN1; SMN2KDM4EMAPTCYP1A2CYP2C9
SCHEMBL6832945 0.74 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EMAPTPKMGRIN2D

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 SMN1; SMN2 3328/4885KDM4E 588/4885MAPT 3505/4885

“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.