SCHEMBL6726328

SCHEMBL6726328

O=C(c1cnc(-c2cccc[n+]2[O-])cn1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
OPRM1 P35372 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 10/20 0.36
KLK1 P06870 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6726332 0.94 ALDH1A1 (0.42) ALDH1A1OPRM1LMNAGAASMN1; SMN2
SCHEMBL6731480 0.88 GAA (0.36) OPRM1LMNAGAASMN1; SMN2F10
SCHEMBL6730501 0.88 OPRM1 (0.38) ALDH1A1OPRM1LMNAGAASMN1; SMN2
SCHEMBL6731245 0.88 F10 (0.38) ALDH1A1OPRM1GAASMN1; SMN2F10
SCHEMBL6729244 0.87 F10 (0.50) ALDH1A1OPRM1LMNAF10KLK1
SCHEMBL6729063 0.86 F10 (0.41) OPRM1LMNAGAASMN1; SMN2F10
SCHEMBL6736817 0.86 OPRM1 (0.40) ALDH1A1OPRM1LMNAGAASMN1; SMN2
SCHEMBL6729094 0.86 F10 (0.38) OPRM1LMNAGAASMN1; SMN2F10
SCHEMBL6730053 0.85 ALDH1A1 (0.44) ALDH1A1OPRM1LMNAGAASMN1; SMN2
SCHEMBL6724997 0.84 F10 (0.48) OPRM1LMNAGAAF10KLK1

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 ALDH1A1 1316/4885OPRM1 910/4885LMNA 1760/4885

“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.