SCHEMBL6315436

SCHEMBL6315436

CCc1c(C(=O)OC)cnn1-c1nc2ccccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.45
NR4A2 P43354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6319204 0.87 NR4A3 (0.61) NR4A3ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL6312917 0.81 KLK5 (0.41) NR4A3ALDH1A1NPC1RAB9AHPGD
SCHEMBL6312400 0.80 MEN1 (0.47) NR4A3NR4A2ALDH1A1NPC1RAB9A
SCHEMBL6429825 0.80 NR4A3 (0.46) NR4A3NR4A2ALDH1A1NPC1RAB9A
SCHEMBL1907312 0.77 NR4A3 (0.74) NR4A3ALDH1A1NPC1RAB9AHPGD
SCHEMBL20278353 0.76 NR4A3 (0.50) NR4A3NR4A2ALDH1A1RAB9AHPGD
SCHEMBL6312681 0.76 MAPT (0.53) NR4A3ALDH1A1NPC1RAB9AHPGD
SCHEMBL6320459 0.76 KDM4E (0.46) NR4A3ALDH1A1NPC1RAB9AHPGD
SCHEMBL6312715 0.73 MALT1 (0.60)
SCHEMBL6312364 0.70 NR4A3 (0.43) NR4A3ALDH1A1NPC1RAB9AHPGD

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 NR4A3 2011/4885NR4A2 2206/4885ALDH1A1 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.