SCHEMBL6313889

SCHEMBL6313889

CCOC(=O)c1cnn(-c2c(OC)ccc3ncccc23)c1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SLC9A1 P19634 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
CDC25B P30305 1/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL6319076 0.87 SLC9A1 (0.48) NPC1RAB9ASLC9A1LMNAHTT
Hydrochloric Acid SCHEMBL6311517 0.82 SLC9A1 (0.67) NPC1RAB9ASLC9A1MAPTKDM4E
SCHEMBL6314486 0.81 SLC9A1 (0.65) NPC1HPGDTP53RAB9ASLC9A1
Hydrochloric Acid SCHEMBL6311509 0.79 SLC9A1 (0.46) NPC1RAB9ASLC9A1HTTMAPT
SCHEMBL6313943 0.78 GUCY1A1 (0.48) NPC1HPGDTP53RAB9APTGS2
SCHEMBL6313272 0.77 SLC9A1 (0.54) NPC1HPGDTP53RAB9ASLC9A1
SCHEMBL20265504 0.76 MALT1 (0.58) NPC1HPGDTP53RAB9APTGS2
SCHEMBL6314813 0.75 RAB9A (0.49) NPC1HPGDTP53RAB9APTGS2
SCHEMBL6321176 0.75 SLC9A1 (0.47) NPC1HPGDTP53RAB9ASLC9A1
SCHEMBL6312274 0.74 SLC9A1 (0.51) HPGDSLC9A1MEN1KMT2ANPSR1

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 NPC1 264/4885HPGD 33/4885TP53 4706/4885

“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.