SCHEMBL6313307

SCHEMBL6313307

CCOC(=O)c1cnn(-c2c(F)cccc2C(F)(F)F)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 7/20 0.45
HPGD P15428 6/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 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
SCHEMBL6312965 0.85 TP53 (0.49) TP53POLBALDH1A1MEN1GAA
SCHEMBL6393490 0.84 NFE2L2 (0.56) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6314019 0.81 NPSR1 (0.49) TP53POLBALDH1A1MEN1GAA
SCHEMBL6429715 0.80 SMN1; SMN2 (0.47) TP53POLBALDH1A1MEN1GAA
SCHEMBL6314202 0.80 TP53 (0.56) TP53POLBALDH1A1MEN1GAA
SCHEMBL6315567 0.79 POLB (0.52) TP53POLBALDH1A1MEN1GAA
SCHEMBL3791701 0.79 SLC9A1 (0.60) CYP2C9CYP2C19CYP3A4
SCHEMBL3791698 0.78 SLC9A1 (0.40) TP53POLBALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL6313304 0.78 SLC9A1 (0.59) CYP2C9CYP2C19CYP3A4
SCHEMBL17145123 0.77 HPGD (0.62) TP53POLBALDH1A1MEN1GAA

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.