SCHEMBL6313102

SCHEMBL6313102

CCOC(=O)c1cnn(-c2cccc3cccnc23)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
RAB9A P51151 5/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 4/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 8/20 0.48
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC9A1 P19634 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL6320770 0.85 TP53 (0.48) MAPTRAB9AHPGDNPC1TP53
SCHEMBL6311466 0.84 ALDH1A1 (0.53) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL6314486 0.83 SLC9A1 (0.65) MAPTRAB9AHPGDNPC1TP53
SCHEMBL6312871 0.82 ALDH1A1 (0.56) MAPTRAB9AHPGDNPC1TP53
SCHEMBL18355731 0.79 MAPT (0.59) MAPTRAB9AHPGDNPC1TP53
SCHEMBL6822984 0.78 ALDH1A1 (0.60) RAB9AHPGDNPC1TP53ALDH1A1
SCHEMBL6599427 0.78 SLC9A1 (0.71) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL6313155 0.78 ALDH1A1 (0.53) MAPTRAB9AHPGDNPC1TP53
Hydrochloric Acid SCHEMBL6315678 0.77 SLC9A1 (0.70) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL6314813 0.77 RAB9A (0.49) MAPTRAB9AHPGDNPC1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
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
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO 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 MAPT 4418/4885RAB9A 2117/4885HPGD 33/4885

“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.