SCHEMBL6730768

SCHEMBL6730768

O=C(c1ccc(-c2cccc[n+]2[O-])nn1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.51
KLK1 P06870 1/20 0.51
OPRM1 P35372 1/20 0.41
HRH1 P35367 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6729244 0.88 F10 (0.50) F10KLK1OPRM1HRH1HRH4
SCHEMBL6731373 0.87 F10 (0.51) F10KLK1OPRM1HRH1HRH4
SCHEMBL6730922 0.87 F10 (0.51) F10KLK1OPRM1HRH1HRH4
SCHEMBL6731245 0.86 F10 (0.38) F10KLK1OPRM1HRH1HRH4
SCHEMBL6729824 0.86 F10 (0.53) F10KLK1OPRM1HRH1HRH4
SCHEMBL6725062 0.86 F10 (0.54) F10
SCHEMBL6731239 0.85 HRH4 (0.42) F10KLK1HRH4HRH3
SCHEMBL6730764 0.84 F10 (0.56) F10KLK1OPRM1HRH1HRH4
SCHEMBL6734184 0.83 F10 (0.64) F10KLK1
SCHEMBL6735556 0.83 F10 (0.54) F10KLK1OPRM1HRH1HRH4

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 F10 19/4885KLK1 3139/4885OPRM1 910/4885

“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.