SCHEMBL6319637

SCHEMBL6319637

CCCc1c(C(=O)N=C(N)NC(=O)OC(C)(C)C)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
ABL1 P00519 4/20 0.35
AXL P30530 1/20 0.35
SLC9A1 P19634 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.34
SRC P12931 2/20 0.34
MET P08581 2/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL6313186 0.85 ABL1 (0.36) ALDH1A1LMNAABL1AXLSLC9A1
SCHEMBL4452242 0.85 SLC9A1 (0.48) ALDH1A1MAPK1LMNASLC9A1MAPT
SCHEMBL6321925 0.84 MAPT (0.38) ALDH1A1MAPK1LMNAABL1AXL
SCHEMBL6319630 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1LMNAABL1AXL
SCHEMBL4452237 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1LMNAMAPTPOLB
SCHEMBL4458516 0.77 SLC9A1 (0.49) ALDH1A1LMNAABL1AXLSLC9A1
SCHEMBL6312734 0.77 NR4A3 (0.49) ALDH1A1MAPK1LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL6313517 0.77 SLC9A1 (0.48) ALDH1A1LMNAABL1AXLSLC9A1
SCHEMBL6314449 0.76 HPGD (0.46) ALDH1A1MAPK1MAPTMAPK14
Trifluoroacetic Acid SCHEMBL6321915 0.75 MAPT (0.45) ALDH1A1MAPK1LMNAMAPTPOLB

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 3 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
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 ALDH1A1 642/4885MAPK1 1899/4885LMNA 1626/4885

“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.