SCHEMBL6314545

SCHEMBL6314545

CCOC(=O)c1cnn(-c2cccc(Cl)c2Cl)c1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL6313244 0.91 MEN1 (0.56) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6314202 0.88 TP53 (0.56) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6313907 0.84 ALDH1A1 (0.50) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6313854 0.84 ALDH1A1 (0.50) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6319872 0.83 KEAP1 (0.61) TP53LMNAMEN1KMT2ANPSR1
SCHEMBL6314266 0.83 KMT2A (0.56) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6314587 0.83 KMT2A (0.56) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6319090 0.83 SLC9A1 (0.62) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6314818 0.82 ALDH1A1 (0.48) TP53POLBALDH1A1LMNAMEN1
SCHEMBL6314019 0.82 NPSR1 (0.49) TP53POLBALDH1A1LMNAMEN1

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 4 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

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.