SCHEMBL6726413

SCHEMBL6726413

CC(=O)Oc1c(S(=O)(=O)N2CCN(C(=O)c3ncc(-c4cc[n+]([O-])cc4)cn3)CC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.38
KLK1 P06870 1/20 0.37
OPRM1 P35372 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BAZ2B Q9UIF8 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
SCHEMBL6725867 0.92 CYP3A4 (0.40) F10KLK1OPRM1KMT2AMEN1
SCHEMBL6729600 0.91 F10 (0.37) F10KLK1OPRM1KMT2AALDH1A1
SCHEMBL6735051 0.89 F10 (0.46) F10KLK1KMT2AMEN1CYP3A4
SCHEMBL6725364 0.87 F10 (0.39) F10KLK1OPRM1KMT2AALDH1A1
SCHEMBL6726599 0.85 F10 (0.40) F10KLK1OPRM1KMT2AMEN1
SCHEMBL6781215 0.85 F10 (0.37) F10KLK1OPRM1KMT2AALDH1A1
SCHEMBL6737048 0.83 CYP3A4 (0.38) F10KLK1OPRM1KMT2AMEN1
SCHEMBL6734925 0.81 F10 (0.45) F10KLK1KMT2AMEN1HRH1
SCHEMBL6729442 0.81 F10 (0.47) F10KLK1KMT2AMEN1CYP3A4
SCHEMBL6737692 0.81 F10 (0.56) 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 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 3139/4885OPRM1 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.