SCHEMBL2828029

SCHEMBL2828029

CC(=O)NCc1cccc(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.57
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ENPP2 Q13822 1/20 0.50
ROCK2 O75116 2/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL18069355 0.87 F10 (0.56) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL8646446 0.86 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30005873 0.86 F10 (0.59) F10KDM1AMAOAMAOBENPP2
SCHEMBL3530258 0.85 KMT2A (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15600277 0.85 CYP1A2 (0.59) F10HDAC2HDAC8HDAC6KDM1A
SCHEMBL13853740 0.84 F10 (0.54) F10KDM1AMAOAMAOBENPP2
SCHEMBL1899410 0.84 NPSR1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30940553 0.83 F10 (0.60) F10KDM1AMAOAMAOBENPP2
SCHEMBL19634818 0.83 KDM1A (0.52) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL2570385 0.83 NOS1 (0.54) F10KDM1AMAOAMAOBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 US disclosed
US-9096545-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-08-04 US disclosed
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-26 US disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 F10 2925/4885HDAC3 2706/4885HDAC4 3131/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS F10 2943/4885HDAC3 2559/4885HDAC4 3209/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 F10 4393/4885HDAC3 862/4885HDAC4 1010/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS F10 2943/4885HDAC3 2559/4885HDAC4 3209/4885

“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.