SCHEMBL777612

SCHEMBL777612

Cc1cc(C)c(CC(N)=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GPR17 Q13304 1/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL21049510 0.83 HTT (0.42) HTTHTR1DHTR1BPOLBALDH1A1
SCHEMBL12214120 0.81 KDM4E (0.42) HTR1DHTR1BLMNAKDM4EMAPT
SCHEMBL8148463 0.81 HTR1D (0.67) HTTHTR1DHTR1BLMNAMAPT
SCHEMBL6017716 0.80 GPR17 (0.41) HTTHTR1DLMNAKDM4EMAPT
SCHEMBL8712162 0.79 HTT (0.40) HTTHTR1DHTR1BKDM4EGAA
SCHEMBL3476152 0.79 KDM4E (0.41) HTR1DHTR1BLMNAKDM4EMAPT
SCHEMBL509440 0.79 KDM4E (0.58) LMNAKDM4EMAPTPOLBALDH1A1
SCHEMBL1259503 0.79 KDM4E (0.41) HTR1DHTR1BLMNAKDM4EMAPT
SCHEMBL3001388 0.78 HTT (0.42) HTTLMNAMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL7983275 0.78 HTT (0.39) HTTHTR1DHTR1BKDM4EGAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113462278-B Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2024-06-07 CN disclosed
CN-113462278-A Varnish composition, method for producing polyimide resin, and additive 东京应化工业株式会社 2021-10-01 CN disclosed
EP-3455220-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-03-20 EP disclosed
CN-106000465-B A kind of method of aldehyde and the oxidative coupling reaction of two level amide 苏州大学 2018-07-31 CN disclosed
WO-2017195149-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-11-16 WO disclosed
CN-106279211-A A kind of thiazolopyrimidinone compound and its preparation method and application 北京大学 2017-01-04 CN disclosed
CN-106000465-A Method for oxidative coupling reaction of aldehyde and secondary amide 苏州大学 2016-10-12 CN disclosed
CN-103402979-B Chemical compound 先正达参股股份有限公司 2016-08-24 CN disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2012-03-22 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
WO-2010136267-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 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 (6 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A HTT 3178/4885HTR1D 4672/4885HTR1B 4042/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A HTT 3178/4885HTR1D 4672/4885HTR1B 4042/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B HTT 3625/4885HTR1D 4155/4885HTR1B 4303/4885
US-20120069418-A1 ELECTROCHROMIC FORMULATION, METHOD FOR THE PRODUCTION THEREOF, AND ORGANIC ELECTROCHROMIC COMPONENT HCN2, EPX, HCN4 HTT 2208/4885HTR1D 4005/4885HTR1B 3589/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A HTT 3178/4885HTR1D 4672/4885HTR1B 4042/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP HTT 493/4885HTR1D 3141/4885HTR1B 1706/4885

“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.