SCHEMBL6314739

SCHEMBL6314739

O=C(O)c1cnn(-c2cc(I)ccc2Cl)c1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 12/20 0.55
KEAP1 Q14145 11/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SPR P35270 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 2/20 0.41
SLC9A1 P19634 1/20 0.40
SLC9A2 Q9UBY0 1/20 0.40

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
SCHEMBL6311479 0.88 NFE2L2 (0.58) NFE2L2KEAP1MEN1KMT2ASPR
SCHEMBL6314912 0.83 ALDH1A1 (0.50) MEN1KMT2AHPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL6314825 0.83 SLC9A1 (0.58) NFE2L2KEAP1MEN1KMT2ASMN1; SMN2
SCHEMBL6314622 0.83 KEAP1 (0.53) NFE2L2KEAP1MEN1KMT2ASPR
Hydrochloric Acid SCHEMBL6314820 0.82 CNR1 (0.41) NFE2L2KEAP1MEN1KMT2ASMN1; SMN2
SCHEMBL6319867 0.82 KEAP1 (0.58) NFE2L2KEAP1MEN1KMT2ASPR
SCHEMBL6313750 0.82 MEN1 (0.69) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL6320699 0.81 KEAP1 (0.51) NFE2L2KEAP1MEN1KMT2ASPR
SCHEMBL6320899 0.81 KEAP1 (0.51) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL6320853 0.81 KEAP1 (0.50) NFE2L2KEAP1MEN1KMT2ASPR

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.