SCHEMBL6315522

SCHEMBL6315522

O=C(O)c1cnn(-c2ccc(F)cc2C(F)(F)F)c1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
NFE2L2 Q16236 6/20 0.53
KEAP1 Q14145 4/20 0.53
TP53 P04637 4/20 0.48
THRB P10828 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
SHMT2 P34897 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SPR P35270 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
SCHEMBL4452081 0.85 SLC9A1 (0.57) SMN1; SMN2TP53THRBMAPTPOLB
SCHEMBL6314631 0.84 NFE2L2 (0.64) SMN1; SMN2NFE2L2KEAP1MAPTPOLB
Hydrochloric Acid SCHEMBL7662228 0.84 SLC9A1 (0.56) SMN1; SMN2TP53THRBMAPTPOLB
SCHEMBL6429715 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TP53THRBMAPTPOLB
SCHEMBL4452076 0.84 TP53 (0.47) SMN1; SMN2TP53THRBMAPTPOLB
Hydrochloric Acid SCHEMBL6311494 0.83 TP53 (0.46) SMN1; SMN2TP53THRBMAPTPOLB
SCHEMBL27527752 0.80 HCAR1 (0.38) SMN1; SMN2TP53THRBMAPTPOLB
SCHEMBL6482935 0.77 TP53 (0.43) TP53THRBMAPTPOLBSHMT2
SCHEMBL6393490 0.77 NFE2L2 (0.56) SMN1; SMN2NFE2L2KEAP1MAPTPOLB
SCHEMBL6320171 0.75 NFE2L2 (0.68) SMN1; SMN2NFE2L2KEAP1TP53MAPT

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 SMN1; SMN2 3122/4885NFE2L2 450/4885KEAP1 313/4885

“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.