SCHEMBL6313809

SCHEMBL6313809

O=C(O)c1cnn(-c2c(Cl)cccc2Cl)c1C1CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 14/20 0.66
KEAP1 Q14145 13/20 0.66
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC9A1 P19634 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSD11B1 P28845 1/20 0.45
SPR P35270 1/20 0.45

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
SCHEMBL6319872 0.85 KEAP1 (0.61) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6313750 0.85 MEN1 (0.69) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL4454378 0.82 SLC9A1 (0.69) NFE2L2KEAP1MEN1KMT2ASLC9A1
Hydrochloric Acid SCHEMBL6597087 0.81 SLC9A1 (0.67) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL4454374 0.81 SLC9A1 (0.44) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6314202 0.81 TP53 (0.56) NFE2L2KEAP1MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6313635 0.80 SLC9A1 (0.43) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL3494329 0.80 NFE2L2 (1.00) NFE2L2KEAP1SLC9A1SLC9A2HSD11B1
SCHEMBL8341095 0.79 KEAP1 (0.76) NFE2L2KEAP1MEN1KMT2ASLC9A1
SCHEMBL6319867 0.77 KEAP1 (0.58) NFE2L2KEAP1MEN1KMT2AUSP2

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 3 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
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 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.