SCHEMBL6428367

SCHEMBL6428367

CCOC(=O)c1cnn(-c2ccc3ncccc3c2)c1CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.46
PTGS2 P35354 1/20 0.46
TSHR P16473 3/20 0.45
NR4A3 Q92570 1/20 0.44
GUCY1A1 Q02108 2/20 0.44
GUCY1B1 Q02153 2/20 0.44
FGFR2 P21802 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6314449 0.92 HPGD (0.46) HPGDRAB9ANPC1TP53HTT
SCHEMBL6314813 0.89 RAB9A (0.49) HPGDRAB9ANPC1TP53HTT
SCHEMBL6313370 0.87 NR4A3 (0.61) RAB9ATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL6312727 0.86 TP53 (0.52) HPGDRAB9ANPC1TP53HTT
SCHEMBL6319072 0.85 NPC1 (0.46) HPGDRAB9ANPC1TP53HTT
SCHEMBL6428348 0.85 ALDH1A1 (0.47) HPGDRAB9ANPC1HTTSMN1; SMN2
SCHEMBL4458516 0.81 SLC9A1 (0.49) RAB9ATP53SMN1; SMN2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6313517 0.81 SLC9A1 (0.48) RAB9ATP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL4458512 0.80 MALT1 (0.43) RAB9AHTTSMN1; SMN2NR4A3FGFR2
Hydrochloric Acid SCHEMBL6313508 0.79 MALT1 (0.42) RAB9AHTTSMN1; SMN2NR4A3FGFR2

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.