SCHEMBL6728616

SCHEMBL6728616

Cc1cc(-c2cnc(C(=O)N3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3)nc2)cc[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.40
KLK1 P06870 1/20 0.40
HRH4 Q9H3N8 5/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.37
PAK4 O96013 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM1A O60341 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
SCHEMBL6728611 0.94 HRH4 (0.46) F10KLK1HRH4HRH3PAK4
SCHEMBL6731753 0.90 F10 (0.38) F10KLK1HRH4HRH3HRH1
SCHEMBL6728350 0.89 OPRM1 (0.40) F10KLK1HRH4HRH3HRH1
SCHEMBL6726083 0.89 F10 (0.37) F10KLK1HRH4HRH3HRH1
SCHEMBL6730655 0.89 F10 (0.43) F10KLK1HRH4HRH3HRH1
SCHEMBL6733162 0.89 F10 (0.49) F10KLK1HRH4HRH3HRH1
SCHEMBL6730030 0.88 F10 (0.39) F10KLK1HRH4HRH3HRH1
SCHEMBL6730084 0.86 F10 (0.55) F10KLK1HRH4HRH3HRH1
SCHEMBL6731287 0.85 F10 (0.41) F10KLK1HRH4HRH3HRH1
SCHEMBL6731706 0.85 F10 (0.38) F10KLK1HRH4HRH3HRH1

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 3139/4885HRH4 506/4885

“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.