SCHEMBL6729281

SCHEMBL6729281

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
F10 P00742 8/20 0.54
KLK1 P06870 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
KMT2A Q03164 1/20 0.46
CCKAR P32238 1/20 0.45
GHSR Q92847 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5196283 0.87 F10 (0.71) F10KLK1
SCHEMBL6421003 0.87 F10 (0.56) ATMF10KLK1
SCHEMBL6421733 0.87 F10 (0.71) ATMF10KLK1L3MBTL1ALDH1A1
SCHEMBL6730108 0.84 F10 (0.54) ATMF10KLK1L3MBTL1GHSR
SCHEMBL6423992 0.84 F10 (0.56) ATMF10KLK1
SCHEMBL6730422 0.84 F10 (0.74) F10KLK1
SCHEMBL14095701 0.82 F10 (0.50) ATMF10KLK1CA12CA1
SCHEMBL6424026 0.78 F10 (0.67) F10KLK1
SCHEMBL6709503 0.77 ATM (0.47) ATMF10KLK1L3MBTL1LMNA
SCHEMBL6730994 0.77 F10 (0.61) F10KLK1L3MBTL1LMNA

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 ATM 2080/4885F10 19/4885KLK1 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.