SCHEMBL6313784

SCHEMBL6313784

CCOC(=O)c1cnn(-c2cc(OC)ccc2Cl)c1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPBWR1 P48145 2/20 0.43
MCHR1 Q99705 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL6314266 0.89 KMT2A (0.56) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6314912 0.87 ALDH1A1 (0.50) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6312555 0.86 ALDH1A1 (0.49) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6320112 0.85 ALDH1A1 (0.49) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6319259 0.84 ALDH1A1 (0.48) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6312043 0.84 POLB (0.52) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6313833 0.84 ALDH1A1 (0.48) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6313244 0.84 MEN1 (0.56) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6313353 0.83 POLB (0.47) TP53ALDH1A1POLBMEN1KMT2A
SCHEMBL6311753 0.83 POLB (0.47) TP53ALDH1A1POLBMEN1KMT2A

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
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 4706/4885ALDH1A1 642/4885POLB 2803/4885

“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.