SCHEMBL1176728

SCHEMBL1176728

CC(C)(C)c1ccc(C([NH])=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
SRD5A2 P31213 1/20 0.59
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.53
HIF1A Q16665 1/20 0.53
POLB P06746 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
SIRT1 Q96EB6 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL2853873 0.82 HDAC1 (0.64) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL1148445 0.82 SRD5A2 (0.83) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL10946728 0.82 SRD5A2 (0.83) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL292571 0.81 LMNA (0.57) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL12551369 0.81 SRD5A2 (0.73) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL12451655 0.81 SRD5A2 (0.73) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL501788 0.80 HDAC1 (0.61) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL19261396 0.80 HDAC1 (0.61) HDAC1SRD5A2ALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL27713186 0.80 SRD5A2 (0.79) HDAC1SRD5A2ALDH1A1RAB9AMEN1
SCHEMBL397829 0.80 EPHX2 (0.65) HDAC1SRD5A2ALDH1A1RAB9AMEN1

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 203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342039-B2 Substituted indole oximes WYETH (US) 2008-03-11 US claimed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP claimed
EP-0999834-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-10-12 EP claimed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP claimed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 EP claimed
US-6677369-B2 CARBOXIMIDAMIDE DERIVATIVE ANTICOAGULANTS INHIBIT FACTOR XA ELI LILLY AND COMPANY 2004-01-13 US claimed
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 claimed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US claimed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US claimed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US claimed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP claimed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP claimed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 EP claimed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP claimed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO claimed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO claimed
US-5409808-A Excellent sensitivity and gradation; improved storage stability FUJI PHOTO FILM CO., LTD. (JP) 1995-04-25 US claimed

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-20030195223-A1 An anticoagulant, blood inhibitor of factor Xa, a N1-amidinebenzoyl- N2-benzoyl-1,2-benzenediamine derivatives; chemical intermediates F12, F11, F2 HDAC1 188/4885SRD5A2 1778/4885ALDH1A1 1095/4885

“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.