SCHEMBL6731480

SCHEMBL6731480

O=C(c1ncc(-c2cccc[n+]2[O-])nn1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
OPRM1 P35372 1/20 0.36
F10 P00742 10/20 0.36
KLK1 P06870 1/20 0.36
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HRH1 P35367 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HCRTR1 O43613 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
SCHEMBL6731474 0.94 HRH4 (0.41) GAAF10KLK1HRH4HRH3
SCHEMBL6729094 0.90 F10 (0.38) GAAOPRM1F10KLK1HRH4
SCHEMBL6726328 0.88 ALDH1A1 (0.42) GAAOPRM1F10KLK1HRH4
SCHEMBL6731245 0.88 F10 (0.38) GAAOPRM1F10KLK1HRH4
SCHEMBL6730922 0.87 F10 (0.51) OPRM1F10KLK1HRH4HRH3
SCHEMBL6727872 0.87 OPRM1 (0.38) GAAOPRM1F10KLK1HRH4
SCHEMBL6729063 0.86 F10 (0.41) GAAOPRM1F10KLK1HRH4
SCHEMBL6730191 0.86 ALDH1A1 (0.44) GAAOPRM1F10LMNAL3MBTL1
SCHEMBL6730501 0.85 OPRM1 (0.38) GAAOPRM1F10KLK1HRH4
SCHEMBL6729634 0.84 F10 (0.47) GAAF10LMNASMN1; SMN2

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 GAA 3277/4885OPRM1 910/4885F10 19/4885

“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.