SCHEMBL6320775

SCHEMBL6320775

O=C(O)c1cnn(-c2ccc3ccccc3c2)c1C1CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 17/20 0.73
KEAP1 Q14145 16/20 0.73
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC9A1 P19634 1/20 0.53
SLC9A2 Q9UBY0 1/20 0.53
HSD11B1 P28845 1/20 0.50

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
SCHEMBL3494329 0.85 NFE2L2 (1.00) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL6311969 0.84 NFE2L2 (0.62) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL6313475 0.83 TP53 (0.56) NFE2L2KEAP1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6315561 0.83 SLC9A1 (0.73) NFE2L2KEAP1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6315553 0.82 SMN1; SMN2 (0.52) NFE2L2KEAP1LMNARAB9ASMN1; SMN2
SCHEMBL3491956 0.79 KEAP1 (0.86) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL1403045 0.79 NFE2L2 (0.76) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL8341095 0.79 KEAP1 (0.76) NFE2L2KEAP1LMNASMN1; SMN2SLC9A1
SCHEMBL6312663 0.77 SLC9A1 (0.71) NFE2L2KEAP1SLC9A1SLC9A2
SCHEMBL21816347 0.77 NFE2L2 (0.68) NFE2L2KEAP1

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 313/4885LMNA 1626/4885

“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.