SCHEMBL6313010

SCHEMBL6313010

Cc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
KDM4E B2RXH2 2/20 0.50
NOTUM Q6P988 1/20 0.49
LMNA P02545 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
KAT2B Q92831 1/20 0.49
RPA1 P27694 6/20 0.48
STAT1 P42224 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
KMO O15229 1/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6314841 0.84 PKM (0.72) PKMKDM4ENOTUMLMNAADORA3
SCHEMBL6319669 0.83 PKM (0.49) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL3327114 0.81 PKM (1.00) PKMKDM4ENOTUMLMNAADORA3
SCHEMBL4775643 0.80 KDM4E (0.64) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6312708 0.80 PKM (0.71) PKMKDM4ENOTUMLMNAADORA3
SCHEMBL6319104 0.80 PKM (0.46) PKMKDM4ENOTUMLMNAADORA3
SCHEMBL316035 0.78 KDM4E (0.75) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL15603237 0.78 PKM (0.59) PKMKDM4ENOTUMLMNAADORA3
SCHEMBL26843132 0.78 PKM (0.59) PKMKDM4ELMNAADORA3ADORA2A
SCHEMBL6320827 0.77 PKM (0.62) PKMKDM4ELMNAADORA3ADORA2A

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 PKM 3050/4885KDM4E 3920/4885NOTUM 3592/4885

“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.