SCHEMBL6421733

SCHEMBL6421733

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)CC1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.71
KLK1 P06870 1/20 0.61
LSS P48449 1/20 0.50
ATM Q13315 1/20 0.49
GPR183 P32249 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 1/20 0.44
HRH4 Q9H3N8 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 0.92 F10 (0.71) F10KLK1LSS
SCHEMBL6730422 0.89 F10 (0.74) F10KLK1
SCHEMBL6729281 0.87 ATM (0.57) F10KLK1ATML3MBTL1ALDH1A1
SCHEMBL6728539 0.87 F10 (0.67) F10KLK1GPR183HRH4
SCHEMBL6421218 0.83 F10 (0.51) F10KLK1LSSATML3MBTL1
SCHEMBL6424026 0.83 F10 (0.67) F10KLK1
SCHEMBL6421003 0.82 F10 (0.56) F10KLK1ATM
SCHEMBL6730994 0.82 F10 (0.61) F10KLK1L3MBTL1
SCHEMBL5193868 0.82 ATM (0.71) F10LSSATML3MBTL1
SCHEMBL6737185 0.82 F10 (0.68) F10KLK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1528061-A1 Heterocyclic derivatives which inhibit factor Xa AstraZeneca AB (SE) 2005-05-04 EP disclosed
US-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa ASTRAZENECA AB 2004-12-30 US disclosed
EP-1082321-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6753331-B1 INDOL-2-YLSULPHONYL-4-(4-(HETEROCYCLE)BENZOYL)PIPERAZINE DERIVATIVES AS ANTICOAGULANTS ASTRAZENECA AB (SE) 2004-06-22 US disclosed
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 (2 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 3139/4885LSS 1745/4885
US-20040266759-A1 Heterocyclic derivatives which inhibit factor Xa F12, TFPI, F2 F10 9/4885KLK1 1162/4885LSS 726/4885

“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.