SCHEMBL6314622

SCHEMBL6314622

NC(=O)c1ccc(Cl)c(-n2ncc(C(=O)O)c2C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 12/20 0.53
NFE2L2 Q16236 12/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC9A1 P19634 3/20 0.44
SLC9A2 Q9UBY0 3/20 0.44
HSD11B1 P28845 1/20 0.42
SPR P35270 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4453861 0.87 SLC9A1 (0.59) KEAP1NFE2L2MEN1KMT2ASLC9A1
SCHEMBL4453856 0.86 SLC9A1 (0.41) KEAP1NFE2L2MEN1KMT2ASLC9A1
Hydrochloric Acid SCHEMBL6314073 0.86 SLC9A1 (0.58) KEAP1NFE2L2MEN1KMT2ASLC9A1
SCHEMBL6311479 0.85 NFE2L2 (0.58) KEAP1NFE2L2MEN1KMT2ASLC9A1
SCHEMBL6313259 0.85 NFE2L2 (0.62) KEAP1NFE2L2MEN1KMT2AHSD11B1
SCHEMBL6320853 0.85 KEAP1 (0.50) KEAP1NFE2L2MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL6314063 0.85 SLC9A1 (0.40) KEAP1NFE2L2MEN1KMT2ASLC9A1
SCHEMBL6320112 0.84 ALDH1A1 (0.49) MEN1KMT2AHPGDNPSR1HSD17B10
SCHEMBL6314739 0.83 NFE2L2 (0.55) KEAP1NFE2L2MEN1KMT2ASLC9A1
SCHEMBL6320699 0.82 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2ASPR

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 4 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

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 KEAP1 313/4885NFE2L2 450/4885MEN1 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.