SCHEMBL6314449

SCHEMBL6314449

CCCc1c(C(=O)OCC)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 7/20 0.44
TSHR P16473 3/20 0.43
MAPK14 Q16539 2/20 0.42
PTGS2 P35354 1/20 0.42
FGFR2 P21802 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6428367 0.92 HPGD (0.47) HPGDRAB9ANPC1TP53HTT
SCHEMBL6314813 0.87 RAB9A (0.49) HPGDRAB9ANPC1TP53HTT
SCHEMBL6312734 0.87 NR4A3 (0.49) ALDH1A1MAPK14MAPTGAAMAPK1
SCHEMBL6312727 0.86 TP53 (0.52) HPGDRAB9ANPC1TP53HTT
SCHEMBL6319072 0.84 NPC1 (0.46) HPGDRAB9ANPC1TP53HTT
SCHEMBL4452242 0.82 SLC9A1 (0.48) RAB9ATP53SMN1; SMN2ALDH1A1MAPK14
SCHEMBL4452237 0.81 ALDH1A1 (0.43) ALDH1A1MAPK14MAPTGAAMAPK1
SCHEMBL2326321 0.79 ALDH1A1 (0.68) HPGDRAB9AHTTSMN1; SMN2ALDH1A1
SCHEMBL6313370 0.78 NR4A3 (0.61) RAB9ATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL6313388 0.78 SLC9A1 (0.53) HPGDRAB9ANPC1TP53ALDH1A1

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 HPGD 33/4885RAB9A 2117/4885NPC1 264/4885

“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.