SCHEMBL377917

SCHEMBL377917

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PABPC1 P11940 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
LDHA P00338 1/20 0.50
GLA P06280 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
RUNX1 Q01196 1/20 0.50
CBFB Q13951 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 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
SCHEMBL29958034 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29953794 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL10061909 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL13065355 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1527112 0.82 PKM (0.56) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4094352 0.82 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5577982 0.81 RORC (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7055271 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28004254 0.80 ITGB3 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL28003899 0.80 ITGB3 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-01-10 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-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 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-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 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
EP-1016653-B1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK CO (US) 2004-02-25 EP disclosed
US-6172260-B1 Preparation of high dye-yield couplers and intermediates useful therein EASTMAN KODAK COMPANY 2001-01-09 US disclosed
US-6124503-A Processes for making and using alkylaminoarylcarbonyl compounds EASTMAN KODAK COMPANY (US) 2000-09-26 US disclosed
EP-1016653-A1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK COMPANY (US) 2000-07-05 EP 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-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 ALDH1A1 3575/4885MEN1 1365/4885KMT2A 3010/4885
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 3721/4885MEN1 4324/4885KMT2A 1804/4885
US-20190010167-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885MEN1 2/4885KMT2A 12/4885

“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.