SCHEMBL6434738

SCHEMBL6434738

O=C(O)c1ccc2c(NC(=O)c3ccccc3)nccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
HCAR3 P49019 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.44
PTPN1 P18031 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL18666640 0.87 RAB9A (0.52) ADORA3NPC1RAB9AKDM5CKDM5B
SCHEMBL1206235 0.86 ADORA3 (0.55) ADORA3NPC1RAB9AABCG2MEN1
SCHEMBL1204620 0.85 ADORA3 (0.54) ADORA3NPC1RAB9AABCG2MEN1
SCHEMBL6439071 0.85 ADORA3 (0.54) ADORA3NPC1RAB9AABCG2MEN1
SCHEMBL5874038 0.84 ADORA3 (0.62) ADORA3NPC1RAB9AABCG2MEN1
SCHEMBL6435371 0.83 ADORA3 (0.52) ADORA3NPC1RAB9AABCG2MEN1
SCHEMBL6435363 0.83 CSF1R (0.53) ADORA3NPC1RAB9AABCG2
SCHEMBL6435943 0.82 ADORA3 (0.51) ADORA3NPC1RAB9A
SCHEMBL30204784 0.80 CSNK2A1 (0.48) KDM4AKDM4BKDM5CKDM5BHCAR3
SCHEMBL2671657 0.80 CSNK2A1 (0.48) KDM4AKDM4BKDM5CKDM5BHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ADORA3 178/4885NPC1 2231/4885RAB9A 2664/4885

“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.