SCHEMBL6731338

SCHEMBL6731338

O=C(c1ccc(-c2cc[n+]([O-])cc2)nn1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
OPRM1 P35372 1/20 0.39
KLK1 P06870 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HRH1 P35367 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6731334 0.93 HRH4 (0.43) F10KLK1HRH4HRH3MAPT
SCHEMBL6726315 0.89 ALDH1A1 (0.47) F10OPRM1KLK1HRH4HRH3
SCHEMBL6736817 0.88 OPRM1 (0.40) F10OPRM1KLK1HRH4HRH3
SCHEMBL6735798 0.87 OPRM1 (0.39) F10OPRM1KLK1HRH4HRH3
SCHEMBL6727872 0.87 OPRM1 (0.38) F10OPRM1KLK1HRH4HRH3
SCHEMBL6731245 0.86 F10 (0.38) F10OPRM1KLK1HRH4HRH3
SCHEMBL6729824 0.86 F10 (0.53) F10OPRM1KLK1HRH4HRH3
SCHEMBL6731715 0.85 F10 (0.49) F10OPRM1KLK1KMT2A
SCHEMBL6728350 0.83 OPRM1 (0.40) F10OPRM1KLK1HRH4HRH3
SCHEMBL6735897 0.83 ALDH1A1 (0.44) F10OPRM1MAPTALDH1A1GAA

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 19/4885OPRM1 910/4885KLK1 3139/4885

“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.