SCHEMBL6737048

SCHEMBL6737048

COc1c(S(=O)(=O)N2CCN(C(=O)c3ncc(-c4cc[n+]([O-])c(C)c4)cn3)CC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
F10 P00742 8/20 0.38
KLK1 P06870 1/20 0.38
MAPT P10636 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PAK4 O96013 1/20 0.35
DRD3 P35462 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 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
SCHEMBL6729600 0.93 F10 (0.37) CYP3A4CYP2C19CYP2C9F10KLK1
SCHEMBL6725867 0.91 CYP3A4 (0.40) CYP3A4CYP2C19CYP2C9F10KLK1
SCHEMBL6730702 0.90 F10 (0.39) F10KLK1HRH1HRH4HRH3
SCHEMBL6730196 0.89 F10 (0.38) CYP3A4CYP2C19CYP2C9F10KLK1
SCHEMBL6730713 0.89 F10 (0.46) CYP3A4CYP2C19CYP2C9F10KLK1
SCHEMBL6736921 0.88 F10 (0.36) F10KLK1MAPTHRH1HRH4
SCHEMBL6730084 0.84 F10 (0.55) F10KLK1HRH1HRH4HRH3
SCHEMBL6726413 0.83 F10 (0.38) CYP3A4CYP2C19CYP2C9F10KLK1
SCHEMBL6728616 0.82 F10 (0.40) F10KLK1HRH1HRH4HRH3
SCHEMBL6734925 0.81 F10 (0.45) CYP3A4CYP2C19CYP2C9F10KLK1

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 CYP3A4 130/4885CYP2C19 84/4885CYP2C9 72/4885

“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.