SCHEMBL1782199

SCHEMBL1782199

CN(C)C(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.48
ERN1 O75460 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 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
SCHEMBL29902993 1.00 GPBAR1 (0.48) GPBAR1ERN1MAOAMAOBALDH1A1
SCHEMBL22259607 0.86 ERN1 (0.57) ERN1ALDH1A1SMN1; SMN2HPGDTACR2
SCHEMBL31073591 0.83 MLYCD (0.48) GPBAR1MAOAMAOBALDH1A1TAS1R3
SCHEMBL1438344 0.83 MLYCD (0.48) GPBAR1MAOAMAOBALDH1A1TAS1R3
SCHEMBL2653855 0.82 CES2 (0.59) ERN1MAOAMAOBALDH1A1TAS1R3
SCHEMBL355700 0.79 HSP90AA1 (0.67) ERN1ALDH1A1SMN1; SMN2HPGDHSP90AA1
SCHEMBL91409 0.79 ERN1 (0.49) GPBAR1ERN1MAOAMAOBALDH1A1
SCHEMBL12599208 0.79 NPC1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3787476 0.79 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL19750356 0.79 TSHR (0.46) GPBAR1MAOAMAOBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 EP disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO disclosed
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP disclosed
EP-1992623-A1 Heteroaryl benzamide derivative for use as GLK activator in the treatment of diabetes Astra Zeneca AB (SE) 2008-11-19 EP disclosed
US-20080171734-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme ASTRAZENECA AB (SE) 2007-12-13 US disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO 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 (8 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 GPBAR1 2754/4885ERN1 2786/4885MAOA 266/4885
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 GPBAR1 120/4885ERN1 2041/4885MAOA 3858/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 GPBAR1 2754/4885ERN1 2786/4885MAOA 266/4885
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme GCK, GCKR, GRK4 GPBAR1 514/4885ERN1 1270/4885MAOA 3163/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 GPBAR1 2754/4885ERN1 2786/4885MAOA 266/4885
US-20080171734-A1 CHEMICAL COMPOUNDS HK1, GCKR, GCK GPBAR1 151/4885ERN1 432/4885MAOA 1621/4885
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 GPBAR1 122/4885ERN1 2244/4885MAOA 3769/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 GPBAR1 2754/4885ERN1 2786/4885MAOA 266/4885

“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.