SCHEMBL1188674

SCHEMBL1188674

CCc1cccc(NC=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL10557190 0.90 SMN1; SMN2 (0.43) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL10551933 0.86 HDAC3 (0.41) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL10557801 0.86 HDAC3 (0.41) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL10388289 0.85 GRIN2D (0.47) ALDH1A1HDAC4GAASIGMAR1GRIN2D
SCHEMBL10555331 0.85 RAPGEF4 (0.38) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL10133361 0.84 ALDH1A1 (0.52) RAPGEF4ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL10559062 0.83 SMN1; SMN2 (0.39) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL10558831 0.83 SIGMAR1 (0.43) RAPGEF4ALDH1A1MAPTSMN1; SMN2HDAC4
SCHEMBL7351056 0.82 HDAC4 (0.47) ALDH1A1HDAC4MEF2D
SCHEMBL5543436 0.81 LPL (0.47) HDAC4MEF2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-3795568-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2021-03-24 EP disclosed
WO-2019043214-A1 GLUTARIMIDE F. HOFFMANN-LA ROCHE AG (CH) 2019-03-07 WO disclosed
EP-2862859-B1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2018-07-25 EP disclosed
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
EP-0147379-A1 Making nitrodiarylamines MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4252943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 US disclosed
US-4228103-A Effecting condensation of nitrohaloarene and formyl derivative of a primary aromatic amine with alkali metal hydroxide MONSANTO COMPANY (US) 1980-10-14 US disclosed
US-4217359-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
US-4209463-A Promoting the formation of nitrodiarylamines from nitrohaloarenes, activated aryl amines and sodium carbonates MONSANTO COMPANY (US) 1980-06-24 US disclosed
US-4196146-A Making nitrodiarylamines from formyl derivatives of aromatic amines and nitrohaloarenes by admixing with certain aqueous salt solutions MONSANTO COMPANY (US) 1980-04-01 US disclosed
US-4187248-A FORMANILIDE MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4187249-A COMPOUNDS OF POTASSIUM, CESIUM, OR RUBIDIUM MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4140716-A Process for making an amide of formic acid and forming nitrodiarylamine therefrom MONSANTO COMPANY (US) 1979-02-20 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 (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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT RAPGEF4 1371/4885ALDH1A1 789/4885MAPT 4243/4885

“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.