SCHEMBL6313155

SCHEMBL6313155

CCOC(=O)c1cnn(-c2ccccc2OC)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 3/20 0.53
MAPK14 Q16539 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL17844090 0.88 ALDH1A1 (0.67) ALDH1A1HPGDMAPK14MAPTLMNA
SCHEMBL18355731 0.85 MAPT (0.59) ALDH1A1HPGDMAPK14MAPTHTT
SCHEMBL6320610 0.84 MAPK14 (0.61) ALDH1A1MAPK14MAPTLMNANPSR1
SCHEMBL8339620 0.83 PDE4B (0.62) ALDH1A1HPGDMAPTHTTSMN1; SMN2
SCHEMBL14691529 0.83 HTT (0.53) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL3492964 0.83 ALDH1A1 (0.60) ALDH1A1HPGDMAPK14MAPTLMNA
SCHEMBL462999 0.82 MAPK14 (0.50) ALDH1A1HPGDMAPK14MAPTLMNA
SCHEMBL6312871 0.81 ALDH1A1 (0.56) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL1065124 0.80 ALDH1A1 (0.75) ALDH1A1HPGDMAPTLMNANPSR1
SCHEMBL6313102 0.78 MAPT (0.54) ALDH1A1HPGDMAPTLMNAKDM4E

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 5 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-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP 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

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 ALDH1A1 642/4885HPGD 33/4885MAPK14 2097/4885

“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.