SCHEMBL6313294

SCHEMBL6313294

O=C(O)c1cnn(-c2ccccc2Br)c1C1CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 13/20 0.68
KEAP1 Q14145 12/20 0.68
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC9A1 P19634 4/20 0.49
SLC9A2 Q9UBY0 3/20 0.49
SPR P35270 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 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
SCHEMBL6312738 0.84 KEAP1 (0.68) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6320171 0.84 NFE2L2 (0.68) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6313750 0.84 MEN1 (0.69) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL3713091 0.83 SLC9A1 (0.72) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6311699 0.83 NFE2L2 (0.67) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6312817 0.83 NFE2L2 (0.67) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL31717241 0.82 NFE2L2 (0.55) NFE2L2KEAP1MEN1KMT2ASPR
SCHEMBL6313727 0.82 NFE2L2 (0.62) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6314818 0.82 ALDH1A1 (0.48) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL4456374 0.82 SLC9A1 (0.51) NFE2L2KEAP1MEN1KMT2ASLC9A1

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-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 NFE2L2 450/4885KEAP1 313/4885MEN1 4475/4885

“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.