SCHEMBL6579498

SCHEMBL6579498

COCC(=O)Nc1cccc(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.64
HPGD P15428 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP2C19 P33261 2/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 1/20 0.59
ALOX12 P18054 1/20 0.59
ALDH1A1 P00352 2/20 0.59
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HDAC4 P56524 1/20 0.59

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
SCHEMBL9495103 0.90 SMN1; SMN2 (0.71) MAPK1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13841456 0.86 MAPK1 (0.60) MAPK1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29292311 0.84 HDAC3 (0.64) MAPK1HPGDMEN1KMT2ACYP2C19
SCHEMBL2014002 0.84 MEN1 (0.72) MAPK1HPGDMEN1KMT2ACYP2C19
SCHEMBL13841455 0.84 MAPK1 (0.65) MAPK1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL14948852 0.84 HDAC3 (0.64) MAPK1HPGDMEN1KMT2ACYP2C19
SCHEMBL11412031 0.83 SMN1; SMN2 (0.64) MAPK1SMN1; SMN2HPGDCYP2C19HTT
SCHEMBL8277632 0.83 HPGD (0.62) MAPK1HPGDMEN1KMT2ACYP2C19
SCHEMBL2502606 0.82 NPC1 (0.76) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL11680494 0.82 SMN1; SMN2 (0.62) MAPK1SMN1; SMN2HPGDMEN1KMT2A

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
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP disclosed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
EP-1037887-B1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY PROCTER & GAMBLE (US) 2004-07-14 EP disclosed
US-6486190-B1 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability THE PROCTER & GAMBLE COMPANY 2002-11-26 US disclosed
EP-1037887-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-27 EP disclosed
WO-1999026942-A1 5-(2-IMIDAZOLINYLAMINO)-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS .ALPHA.-ADRENOCEPTOR AGONISTS WITH IMPROVED METABOLIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed
US-4166069-A PROCESS FOR THE PREPARATION OF 2-METHOXY-5-METHYLANILINE-4-SULPHONIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1979-08-28 US disclosed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 US 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 (3 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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MAPK1 3406/4885SMN1; SMN2 301/4885HPGD 3509/4885
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 MAPK1 902/4885SMN1; SMN2 3787/4885HPGD 1647/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 MAPK1 3406/4885SMN1; SMN2 301/4885HPGD 3509/4885

“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.