SCHEMBL3429035

SCHEMBL3429035

CC(C)C(=O)c1cccn1C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL8308338 0.79 MAOB (0.40) MAOBLMNATSHR
SCHEMBL10350756 0.79 MAOB (0.51) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL9337819 0.78 RAB9A (0.61) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL526662 0.78 SMN1; SMN2 (0.58) MAOBSMN1; SMN2NPC1PKMNFKB1
Hydrochloric Acid SCHEMBL8306208 0.78 MAOB (0.39) MAOBLMNATSHR
SCHEMBL12256103 0.76 HDAC1 (0.46) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL11032042 0.76 MAOB (0.49) MAOBSMN1; SMN2NPC1PKMNFKB1
SCHEMBL80996 0.76
SCHEMBL27827575 0.76
SCHEMBL335459 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215476-B1 METHOD FOR PREPARATION OF FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HOMOGENEOUS CATALYSIS LONZA AG (CH) 2018-02-28 EP disclosed
US-9598435-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-03-21 US disclosed
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-04-07 US disclosed
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785377-B2 Tetrazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-02-07 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-01-10 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
US-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia DOMPÉ FARMACEUTICI S.P.A. (IT) 2006-10-05 US disclosed
EP-0339599-B1 Process for producing acylaromatic compounds SUMITOMO CHEMICAL CO (JP) 1996-08-21 EP disclosed
US-5235068-A Using a boron trifluoride complex catalyst to react an aromatic compound and anhydride or acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-10 US disclosed
EP-0339599-A2 Process for producing acylaromatic compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-02 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 (5 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-20060223842-A1 such as (5-acetyl-1-methyl-1H-pyrrol-2-yl)acetyl methanesulphonamide, used for the of treatment of psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), skin disorders, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and reperfusion injuries after ischemia CXCR2, CXCR1, MMP8 MAOB 4266/4885SMN1; SMN2 1174/4885NPC1 2019/4885
US-20080008681-A1 MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 MAOB 2216/4885SMN1; SMN2 3339/4885NPC1 88/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC MAOB 1806/4885SMN1; SMN2 3674/4885NPC1 295/4885
US-20080032936-A1 Quinoxalinyl tripeptide hepatitis C virus inhibitors VIP, CTSC, PREP MAOB 1515/4885SMN1; SMN2 4112/4885NPC1 664/4885
US-20160096846-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 MAOB 1390/4885SMN1; SMN2 1420/4885NPC1 808/4885

“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.