SCHEMBL377420

SCHEMBL377420

CC(=O)Nc1ccc(CO)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.50
POLB P06746 3/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
CA12 O43570 2/20 0.46

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
SCHEMBL2550927 0.87 ALDH1A1 (0.56) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL27889259 0.87 POLB (0.50) ALDH1A1POLBHSD17B10SMN1; SMN2HTT
SCHEMBL14524843 0.87 SMN1; SMN2 (0.59) ALDH1A1TDP1SMN1; SMN2HTTL3MBTL1
SCHEMBL13183891 0.85 HTT (0.50) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL9686211 0.84 ALDH1A1 (0.53) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL8868405 0.83 ALDH1A1 (0.51) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL10814976 0.83 NR1H4 (0.62) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL13963716 0.83 ALDH1A1 (0.51) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL9110493 0.82 HTT (0.47) ALDH1A1TDP1POLBHSD17B10SMN1; SMN2
SCHEMBL11166803 0.81 ALDH1A1 (0.54) ALDH1A1TDP1POLBSMN1; SMN2HTT

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
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-20120231385-A1 ELECTROPHOTOGRAPHIC TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-09-13 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
US-8236953-B2 Process for preparing piper azine derivatives GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 US disclosed
WO-2008000729-A1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2007144400-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
US-20060189804-A1 Synthetic method for the preparation of quinazolin-4-one derivative BTG INTERNATIONAL LIMITED (GB) 2006-08-24 US disclosed
EP-1675831-A2 SYNTHETIC METHOD FOR THE PREPARATION OF QUINAZOLIN-4-ONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2006-07-05 EP disclosed
WO-2005012260-A2 SYNTHETIC METHOD FOR THE PREPARATION OF QUINAZOLIN-4-ONE DERIVATIVE BTG INTERNATIONAL LIMITED (GB) 2005-02-10 WO disclosed
EP-0268989-B1 IMIDAZOPYRIDINE COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 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-20060189804-A1 Synthetic method for the preparation of quinazolin-4-one derivative CYP4F3, CYP3A4, CYP4F11 ALDH1A1 2145/4885TDP1 2671/4885POLB 1425/4885
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885TDP1 4777/4885POLB 4803/4885
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 ALDH1A1 3721/4885TDP1 4831/4885POLB 4709/4885

“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.