SCHEMBL6729094

SCHEMBL6729094

O=C(c1ncc(-c2cccc[n+]2[O-])cn1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
KLK1 P06870 1/20 0.38
GAA P10253 2/20 0.38
OPRM1 P35372 1/20 0.38
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6729096 0.94 HRH4 (0.42) F10KLK1GAAHRH4HRH3
SCHEMBL6731480 0.90 GAA (0.36) F10KLK1GAAOPRM1HRH4
SCHEMBL6730030 0.89 F10 (0.39) F10KLK1OPRM1HRH4HRH3
SCHEMBL6724997 0.89 F10 (0.48) F10KLK1GAAOPRM1LMNA
SCHEMBL6729063 0.88 F10 (0.41) F10KLK1GAAOPRM1HRH4
SCHEMBL6730953 0.87 GAA (0.37) F10KLK1GAAOPRM1LMNA
SCHEMBL6731706 0.87 F10 (0.38) F10KLK1GAAOPRM1HRH4
SCHEMBL6728350 0.87 OPRM1 (0.40) F10KLK1GAAOPRM1HRH4
SCHEMBL6728471 0.87 GAA (0.36) F10KLK1GAAOPRM1LMNA
SCHEMBL6731796 0.86 F10 (0.53) F10KLK1OPRM1HRH4HRH3

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-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
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 F10 19/4885KLK1 3139/4885GAA 3277/4885

“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.