SCHEMBL6175085

SCHEMBL6175085

CCOC(=O)c1cn(-c2ccc(OC)cc2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA9 Q16790 4/20 0.62
PDE4D Q08499 1/20 0.57
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL719038 0.87 L3MBTL1 (0.62) CA12CA9ALDH1A1MAPK1L3MBTL1
SCHEMBL20856879 0.87 CA12 (0.60) CA12CA9PDE4DALDH1A1NPC1
SCHEMBL6052295 0.85 NPC1 (0.66) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL26005165 0.85 CA12 (0.61) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL6172144 0.85 NPSR1 (0.67) CA12CA9PDE4DALDH1A1NPC1
SCHEMBL6052367 0.83 L3MBTL1 (0.63) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL14133580 0.83 CA12 (0.74) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL29333624 0.82 NPSR1 (0.48) CA12CA9ALDH1A1NPC1RAB9A
SCHEMBL718420 0.81 NPC1 (0.60) CA12CA9PDE4DALDH1A1NPC1
SCHEMBL31728405 0.80 NPC1 (0.59) CA12CA9PDE4DALDH1A1NPC1

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 9 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
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP 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-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 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 (2 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 CA12 1412/4885CA9 1360/4885PDE4D 3388/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 CA12 3817/4885CA9 1475/4885PDE4D 274/4885

“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.