SCHEMBL6313353

SCHEMBL6313353

CCOC(=O)c1cnn(-c2cc(C(=O)N(C)C)ccc2Cl)c1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NFE2L2 Q16236 5/20 0.47
KEAP1 Q14145 4/20 0.47
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6312555 0.89 ALDH1A1 (0.49) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6320112 0.88 ALDH1A1 (0.49) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6311753 0.86 POLB (0.47) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6313259 0.86 NFE2L2 (0.62) SMN1; SMN2MEN1KMT2ANPSR1NFE2L2
SCHEMBL6314266 0.86 KMT2A (0.56) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6314912 0.84 ALDH1A1 (0.50) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6313784 0.83 TP53 (0.49) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6313598 0.83 TP53 (0.46) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6319259 0.82 ALDH1A1 (0.48) POLBTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL6312043 0.82 POLB (0.52) POLBTP53ALDH1A1SMN1; SMN2MEN1

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 POLB 2803/4885TP53 4706/4885ALDH1A1 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.