SCHEMBL6580076

SCHEMBL6580076

O=C(c1ccc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 1/20 0.59
F10 P00742 12/20 0.57
ATM Q13315 1/20 0.56
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL6577783 0.89 SMN1; SMN2 (0.59) SMN1; SMN2GAALMNAF10ATM
SCHEMBL5733762 0.87 F10 (0.72) SMN1; SMN2GAALMNAF10ATM
SCHEMBL6580032 0.85 ATM (0.56) SMN1; SMN2GAALMNAF10ATM
SCHEMBL6304930 0.83 F10 (0.69) SMN1; SMN2GAALMNAF10ATM
SCHEMBL6427668 0.82 F10 (0.56) SMN1; SMN2GAALMNAF10ATM
SCHEMBL5735220 0.82 F10 (0.61) SMN1; SMN2GAALMNAF10ATM
SCHEMBL6300303 0.82 F10 (0.68) SMN1; SMN2GAALMNAF10ATM
SCHEMBL5734527 0.81 ATM (0.54) SMN1; SMN2GAALMNAF10ATM
SCHEMBL5734081 0.81 F10 (0.67) SMN1; SMN2LMNAF10ATML3MBTL1
SCHEMBL6305602 0.79 F10 (0.53) SMN1; SMN2GAALMNAF10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000033-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1367054-A1 Heterocyclic factor Xa inhibitors AstraZeneca AB (SE) 2003-12-03 EP disclosed
US-20020193375-A1 Heterocyclic derivatives which inhibit factor Xa ZENECA LIMITED 2002-12-19 US disclosed
US-6458793-B1 HETEROCYCLIC DERIVATIVES, OR PHARMACEUTICALLY-ACCEPTABLE SALTS THEREOF, WHICH POSSESS ANTITHROMBOTIC AND ANTICOAGULANT PROPERTIES AND MORE ACCORDINGLY USEFUL IN METHODS OF TREATMENT OF HUMANS OR ANIMALS. THE INVENTION ALSO RELATES TO PROCESSES ZENECA LIMITED (GB) 2002-10-01 US disclosed
EP-1000033-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999006371-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ZENECA LIMITED (GB) 1999-02-11 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-20020193375-A1 Heterocyclic derivatives which inhibit factor Xa F12, TFPI, F2 SMN1; SMN2 4213/4885GAA 609/4885LMNA 623/4885

“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.