SCHEMBL6791893

SCHEMBL6791893

O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCNC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
F10 P00742 4/20 0.54
CTSS P25774 1/20 0.50
TPSAB1 Q15661 2/20 0.49
HTR7 P34969 5/20 0.49
ATM Q13315 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
F2 P00734 2/20 0.47
LMNA P02545 1/20 0.45
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL6786575 0.88 F10 (0.52) PKMF10CTSSTPSAB1HTR7
SCHEMBL6793490 0.85 F10 (0.61) PKMF10CTSSTPSAB1HTR7
SCHEMBL6786506 0.85 F10 (0.60) F10HTR7ATMKDM4ELMNA
SCHEMBL6789447 0.83 F10 (0.48) PKMF10CTSSHTR7F2
SCHEMBL7403416 0.83 F10 (0.47) PKMF10CTSSHTR7F2
SCHEMBL6798671 0.80 HTR7 (0.59) F10HTR7POLBLMNAHTR1A
SCHEMBL6791400 0.80 HTR7 (0.62) F10HTR7POLBHTR1AHTR2A
SCHEMBL6786184 0.78 F10 (0.49) F10HTR7F2LMNA
SCHEMBL1387474 0.77 F10 (0.46) PKMF10CTSSHTR7F2
SCHEMBL7123827 0.77 F10 (0.49) F10F2LMNA

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
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 PKM 4658/4885F10 35/4885CTSS 4403/4885

“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.