SCHEMBL3557794

SCHEMBL3557794

Cc1ccccc1-c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ATAD2 Q6PL18 1/20 0.53
LMNA P02545 2/20 0.46
DPYD Q12882 2/20 0.41
NOTUM Q6P988 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL28413613 0.82 UBE2N (0.42) ALDH1A1LMNANOTUMMEN1KMT2A
SCHEMBL5801644 0.79 ALDH1A1 (0.64) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL16652648 0.77 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL13314247 0.76 ATAD2 (0.47) ALDH1A1ATAD2LMNADPYDGAA
SCHEMBL30283346 0.76 PARP1 (0.58) NOTUMBRD4
SCHEMBL30753833 0.75 DPYD (0.59) ALDH1A1LMNADPYDGAA
Hydrochloric Acid SCHEMBL3564614 0.75 ATAD2 (0.46) ALDH1A1ATAD2LMNADPYDBRD4
SCHEMBL3485414 0.75 ALDH1A1 (1.00) ALDH1A1ATAD2LMNADPYDMEN1
SCHEMBL13495311 0.73 DCUN1D1 (0.42) ALDH1A1LMNANOTUMMEN1KMT2A
SCHEMBL5912289 0.73 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306131-B1 Cross-coupling process using a catalyst comprising a cyclic nitrogen ligand SUMITOMO CHEMICAL CO (JP) 2016-12-07 EP disclosed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
US-7727988-B2 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2010-06-01 US disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
US-20060111593-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2006-05-25 US disclosed
US-7041856-B2 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-09 US disclosed
US-20030162950-A1 Coupling catalyst and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-28 US disclosed
EP-1306131-A2 Cross-Coupling catalyst comprising a cyclic nitrogen ligand and process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-02 EP 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-20030162950-A1 Coupling catalyst and process using the same NOD1, PYM1, C9 ALDH1A1 3293/4885ATAD2 1243/4885LMNA 1888/4885
US-20060111593-A1 Coupling catalyst and process using the same RPL22, C9, RBM22 ALDH1A1 3723/4885ATAD2 786/4885LMNA 1071/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 ALDH1A1 87/4885ATAD2 1737/4885LMNA 3803/4885

“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.