SCHEMBL6729599

SCHEMBL6729599

C#Cc1ccc2[nH]c(S(=O)(=O)N3CCN(C(=O)c4ccc5c(c4)CCc4c[n+]([O-])ccc4-5)CC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
KLK1 P06870 1/20 0.42
NUDT15 Q9NV35 1/20 0.36
ALK Q9UM73 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL6726002 0.88 F10 (0.61) F10KLK1HRH4
SCHEMBL6728739 0.85 F10 (0.46) F10KLK1NUDT15ALKL3MBTL1
SCHEMBL6725967 0.85 F10 (0.51) F10KLK1NUDT15CA12CA1
SCHEMBL6730108 0.76 F10 (0.54) F10KLK1L3MBTL1
SCHEMBL6725258 0.76 F10 (0.37) F10KLK1HRH4
SCHEMBL6731552 0.75 F10 (0.40) F10KLK1
SCHEMBL6725262 0.74 F10 (0.37) F10KLK1HRH4
SCHEMBL6733627 0.73 F10 (0.61) F10KLK1L3MBTL1HRH4
SCHEMBL6725472 0.73 F10 (0.40) F10KLK1TDP1L3MBTL1CA12
SCHEMBL6730434 0.72 F10 (0.39) F10KLK1HRH4

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 3139/4885NUDT15 3995/4885

“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.