SCHEMBL1379741

SCHEMBL1379741

C=C(C(N)=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
DAO P14920 1/20 0.54
HPGDS O60760 1/20 0.52
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.50
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 2/20 0.47
ALOX15 P16050 2/20 0.47
NOS1 P29475 1/20 0.47
HTT P42858 1/20 0.47
GSK3B P49841 1/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL13656482 0.82 CES2 (0.56) CES2CES1DAOHPGDSRAB9A
SCHEMBL1445579 0.81 DAO (0.61) CES2CES1DAOHPGDSRAB9A
SCHEMBL31560056 0.80 CES2 (0.54) CES2CES1DAOHPGDSRAB9A
Potassium Ion SCHEMBL29240157 0.79 CES2 (0.56) CES2CES1DAOHPGDSRAB9A
Methane SCHEMBL8432027 0.79 DAO (0.59) CES2CES1DAOHPGDSRAB9A
SCHEMBL11773483 0.79 NOS1 (0.47) CES2CES1DAOHPGDSRAB9A
SCHEMBL29240158 0.79 DAO (0.59) CES2CES1DAOHPGDSRAB9A
SCHEMBL11773764 0.79 CES2 (0.56) CES2CES1DAOHPGDSRAB9A
Hydrochloric Acid SCHEMBL10811435 0.79 DAO (0.59) CES2CES1DAOHPGDSRAB9A
SCHEMBL4365440 0.79 CES2 (0.56) CES2CES1DAOHPGDSRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4828407-B2 2011-11-30 JP claimed
JP-4555547-B2 2010-10-06 JP claimed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP claimed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 WO claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
US-3945831-A Photosensitive resins containing a thienylacrylic acid ester or amide group FUJI PHOTO FILM CO., LTD. (JA) 1976-03-23 US claimed
CN-119546577-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-28 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 US disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
EP-1252891-A1 REMEDIES OR PREVENTIVES FOR LIVER DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed
US-4012377-A ANTIMICROBIAL, PARASITICIDES GLAXO LABORATORIES LIMITED (EN) 1977-03-15 US 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 (2 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-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 CES2 3466/4885CES1 3196/4885DAO 1002/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 CES2 1946/4885CES1 2317/4885DAO 754/4885

“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.