SCHEMBL6313475

SCHEMBL6313475

CCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
HPGD P15428 1/20 0.49
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL6312727 0.87 TP53 (0.52) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6311490 0.86 KEAP1 (0.67) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6320775 0.83 NFE2L2 (0.73) SMN1; SMN2LMNAKEAP1NFE2L2RAB9A
SCHEMBL18700899 0.83 TP53 (0.61) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL1403058 0.82 ALDH1A1 (0.60) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL3829139 0.82 ALDH1A1 (0.60) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8345290 0.82 ALDH1A1 (0.74) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL6319090 0.80 SLC9A1 (0.62) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL31252550 0.80 POLB (0.58) TP53POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL18733335 0.80 TP53 (0.58) TP53POLBALDH1A1SMN1; SMN2LMNA

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 6 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
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 TP53 4706/4885POLB 2803/4885ALDH1A1 642/4885

“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.