SCHEMBL6314770

SCHEMBL6314770

CCc1c(C(=O)O)cnn1-c1c(C)ccc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.54
MALT1 Q9UDY8 4/20 0.46
IL1B P01584 1/20 0.46
SLC9A1 P19634 1/20 0.42
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GUCY1A1 Q02108 1/20 0.37
GUCY1B1 Q02153 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM6A O15550 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36

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
SCHEMBL6313943 0.89 GUCY1A1 (0.48) NR4A3MALT1PTGS2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6321334 0.85 SLC9A1 (0.57) NR4A3MALT1IL1BSLC9A1PTGS2
Hydrochloric Acid SCHEMBL6319007 0.84 MALT1 (0.46) NR4A3MALT1IL1BSLC9A1PTGS2
SCHEMBL20265392 0.82 MALT1 (0.62) MALT1IL1BSLC9A1SMN1; SMN2MAPT
SCHEMBL6318233 0.81 MALT1 (0.61) NR4A3MALT1SLC9A1
SCHEMBL6320671 0.81 KEAP1 (0.53) MALT1IL1BSLC9A1TP53
SCHEMBL20278409 0.80 MALT1 (0.50) MALT1IL1BSLC9A1ALDH1A1SMN1; SMN2
SCHEMBL6313370 0.77 NR4A3 (0.61) NR4A3MALT1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20265504 0.76 MALT1 (0.58) MALT1PTGS2ALDH1A1SMN1; SMN2NPC1
SCHEMBL6321176 0.75 SLC9A1 (0.47) MALT1SLC9A1PTGS2ALDH1A1SMN1; SMN2

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 NR4A3 2011/4885MALT1 4089/4885IL1B 2780/4885

“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.