SCHEMBL6301332

SCHEMBL6301332

O=C(c1ccc(-c2ccoc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.67
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL5733762 0.85 F10 (0.72) F10ATMSMN1; SMN2
SCHEMBL6730044 0.84 F10 (0.69) F10ATMSMN1; SMN2CA12CA1
SCHEMBL6299384 0.82 F10 (0.66) F10ATMSMN1; SMN2
SCHEMBL6304930 0.81 F10 (0.69) F10ATMSMN1; SMN2MAPT
SCHEMBL6300303 0.81 F10 (0.68) F10ATMSMN1; SMN2MAPT
SCHEMBL5734081 0.80 F10 (0.67) F10ATMSMN1; SMN2
SCHEMBL6299391 0.80 F10 (0.64) F10ATMSMN1; SMN2MAPT
SCHEMBL6807951 0.79 F10 (0.80) F10ATMSMN1; SMN2CA12CA1
SCHEMBL6808047 0.79 F10 (0.62) F10ATMMAPT
SCHEMBL6300113 0.79 F10 (0.65) F10ATMSMN1; SMN2MAPT

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
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US disclosed
EP-0937048-B1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ASTRAZENECA AB (SE) 2004-01-21 EP disclosed
EP-1358909-A1 Heteroaryl-phenyl derivatives as factor xa inhibitors for use as antithrombotic and anticoagulant agents AstraZeneca AB (SE) 2003-11-05 EP disclosed
US-20030195203-A1 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2003-10-16 US disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO 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-20030195203-A1 Heterocyclic derivatives F12, F11, F2 F10 5/4885ATM 3746/4885SMN1; SMN2 3887/4885

“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.