SCHEMBL2224455

SCHEMBL2224455

[CH2]NC(=O)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 1/20 0.69
THRB P10828 1/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
ROCK2 O75116 1/20 0.61
ROCK1 Q13464 1/20 0.61
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57

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
SCHEMBL5361880 0.83 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.83 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
Nicoxamat SCHEMBL93839 0.82 HDAC1 (1.00) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL1134989 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL8162429 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL6246677 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
Nicotinic Acid Hydrazide SCHEMBL258390 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL8704315 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL3821696 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL22711347 0.80 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US claimed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
EP-2057115-B9 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-12-26 EP claimed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP claimed
EP-2057115-B1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2012-10-03 EP claimed
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN claimed
US-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US claimed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US claimed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO claimed
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-08 US claimed
US-6787559-B2 HYDROXYCARBONYL OR ALKYLOXYCARBONYL OR AMINOHYDROXYCARBONYL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PROCOLLAGEN C-PROTENASE INHIBITOR SYNTEX (U.S.A.) LLC. 2004-09-07 US claimed
EP-1149072-B1 SULFONAMIDE HYDROXAMATES HOFFMANN LA ROCHE (CH) 2004-06-30 EP claimed
US-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor BILLLEDEAU ROLAND JOSEPH (US) 2003-11-20 US claimed
US-20030199520-A1 Sulfonamide hydroxamates BILLLEDEAU ROLAND JOSEPH (US) 2003-10-23 US claimed
US-6492394-B1 PROCOLLAGEN C-PROTEINASE INHIBITORS; TREATING FIBROTIC DISEASES SYNTEX (U.S.A.) LLC 2002-12-10 US claimed
EP-1149072-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP claimed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 WO claimed
US-5286721-A Antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-15 US claimed
EP-0506982-A1 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 EP claimed
WO-1992006978-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-30 WO 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 (4 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-20030216405-A1 Hydroxycarbonyl or alkyloxycarbonyl or aminohydroxycarbonyl substituted sulfonamide compounds useful as procollagen C-protenase inhibitor CTSE, PREP, HPN HDAC1 630/4885HDAC6 728/4885THRB 4704/4885
US-20030199520-A1 Sulfonamide hydroxamates MMP3, TIMP3, MMP13 HDAC1 232/4885HDAC6 197/4885THRB 4234/4885
US-20100173955-A1 4-SUBSTITUTED PHENOXYPHENYLACETIC ACID DERIVATIVES CD22, HRH2, CD74 HDAC1 2923/4885HDAC6 3683/4885THRB 1042/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HDAC1 170/4885HDAC6 940/4885THRB 1671/4885

“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.