SCHEMBL6790884

SCHEMBL6790884

O=C(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.63
PKM P14618 7/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
RAB9A P51151 1/20 0.62
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.54
MCOLN3 Q8TDD5 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL6790392 0.79 PKM (0.65) MGLLPKMKMT2AMEN1RAB9A
SCHEMBL18134604 0.78 MCOLN3 (0.83) PKMKMT2AMEN1RAB9AATM
SCHEMBL18711449 0.77 PKM (0.74) PKMKMT2AMEN1RAB9AATM
SCHEMBL932229 0.77 TGM2 (0.63) MGLLPKMKMT2AMEN1RAB9A
SCHEMBL9950444 0.77 PKM (1.00) PKMKMT2AMEN1RAB9AATM
SCHEMBL9951108 0.76 PKM (0.64) PKMKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5737194 0.76 KMT2A (0.68) PKMKMT2AMEN1RAB9AATM
SCHEMBL15100848 0.76 PKM (0.61) MGLLPKMKMT2AMEN1RAB9A
SCHEMBL18702168 0.74 PKM (0.69) PKMKMT2AMEN1RAB9AATM
SCHEMBL20408703 0.74 PKM (0.65) MGLLPKMKMT2AMEN1RAB9A

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-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-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP 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 MGLL 3469/4885PKM 4658/4885KMT2A 1699/4885

“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.