SCHEMBL5223727

SCHEMBL5223727

CC(C)(C)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.72
HDAC1 Q13547 14/20 0.70
HDAC3 O15379 9/20 0.70
HDAC2 Q92769 8/20 0.70
MAPK1 P28482 1/20 0.70
NPC1 O15118 1/20 0.68
ALDH1A1 P00352 1/20 0.68
GLA P06280 1/20 0.68
RAB9A P51151 1/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
NCOR2 Q9Y618 6/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66

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
SCHEMBL12963543 0.89 PTGS1 (0.70) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL8401704 0.88 HDAC1 (0.89) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL6171308 0.88 RAB9A (0.60) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL5224950 0.87 RAB9A (0.68) PTGS1HDAC1MAPK1NPC1ALDH1A1
SCHEMBL7291942 0.86 RAB9A (0.64) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL1753889 0.86 HDAC1 (0.71) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL24925446 0.85 PTGS1 (0.75) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL5223315 0.85 RAB9A (0.73) MAPK1NPC1ALDH1A1GLARAB9A
SCHEMBL7366613 0.84 GAA (0.55) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL7297206 0.84 RAB9A (0.68) PTGS1NPC1ALDH1A1GLARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US disclosed
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates BEIGHT DOUGLAS WADE (US) 2003-10-16 US disclosed
US-6417200-B1 BLOOD COAGULATION FACTOR XA IN MAMMALS ELI LILLY AND COMPANY 2002-07-09 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 PTGS1 2265/4885HDAC1 5/4885HDAC3 4/4885
US-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 PTGS1 1153/4885HDAC1 188/4885HDAC3 498/4885

“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.