SCHEMBL2590631

SCHEMBL2590631

COc1ccc(NC(N)=S)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
HPGD P15428 2/20 0.75
GAA P10253 1/20 0.65
KMT2A Q03164 1/20 0.61
RAD52 P43351 1/20 0.57
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP1B1 Q16678 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL30356244 1.00 ALDH1A1 (0.75) ALDH1A1HPGDGAAKMT2ARAD52
SCHEMBL29752141 0.86 ALDH1A1 (0.60) ALDH1A1HPGDGAAKMT2ARAD52
SCHEMBL4141161 0.86 ALDH1A1 (0.60) ALDH1A1HPGDGAAKMT2ARAD52
SCHEMBL24356362 0.84 ALDH1A1 (0.77) ALDH1A1HPGDGAAKMT2ACYP1A1
SCHEMBL10488599 0.83 ALDH1A1 (0.81) ALDH1A1HPGDGAAKMT2ARAD52
SCHEMBL30356271 0.83 ALDH1A1 (0.51) ALDH1A1HPGDGAAKMT2A
SCHEMBL30639441 0.83 SIGMAR1 (0.52) ALDH1A1HPGDGAAKMT2A
SCHEMBL30356287 0.83 ALDH1A1 (0.51) ALDH1A1HPGDGAAKMT2ARAD52
SCHEMBL5317475 0.83 ALDH1A1 (0.71) ALDH1A1HPGDGAAKMT2ACYP1A1
SCHEMBL29757951 0.83 ALDH1A1 (0.71) ALDH1A1HPGDGAAKMT2ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US claimed
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN disclosed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN disclosed
CN-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 CN disclosed
US-10875861-B1 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-29 US disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
CN-108369222-A Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2018-08-03 CN disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
CN-101098698-A 5-carboxamido-substituted thiazole derivatives which interact with ion channels, in particular ion channels of the Kv family DEVGEN NV (BE) 2008-01-02 CN disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 WO disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 WO disclosed
US-4012305-A DIMERIZATION OF STYRENES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 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 (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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ALDH1A1 582/4885HPGD 623/4885GAA 3869/4885
US-10875861-B1 Therapeutic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, RB1 ALDH1A1 1847/4885HPGD 4223/4885GAA 3074/4885
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 ALDH1A1 1395/4885HPGD 4106/4885GAA 4645/4885

“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.