SCHEMBL6313388

SCHEMBL6313388

CCCc1c(C(=O)OCC)cnn1-c1cccc2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.53
MALT1 Q9UDY8 10/20 0.49
PTGS2 P35354 1/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
ELANE P08246 1/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42

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
SCHEMBL20265829 0.92 MALT1 (0.57) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL6312521 0.88 SLC9A1 (0.54) SLC9A1MALT1SLC9A2OPRM1OPRD1
SCHEMBL6312306 0.88 MALT1 (0.58) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL6314486 0.87 SLC9A1 (0.65) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL20265188 0.85 SLC9A1 (0.54) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL20265483 0.85 SLC9A1 (0.54) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL6312653 0.84 MALT1 (0.50) SLC9A1MALT1SLC9A2OPRM1OPRD1
SCHEMBL6313840 0.84 SLC9A1 (0.48) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL6318445 0.83 MALT1 (0.55) SLC9A1MALT1PTGS2NPC1HPGD
SCHEMBL20265395 0.83 MALT1 (0.59) MALT1HPGDMAPTALDH1A1

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 SLC9A1 5/4885MALT1 4089/4885PTGS2 167/4885

“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.