SCHEMBL8309617

SCHEMBL8309617

Clc1ccc(-c2cncs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 4/20 0.49
DYRK1A Q13627 2/20 0.44
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
NOTUM Q6P988 1/20 0.41
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 1/20 0.39
RET P07949 1/20 0.39
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17063922 0.82 CD38 (0.53) CD38DYRK1ADYRK2DYRK1BLRRK2
SCHEMBL1872880 0.79 DYRK1A (0.55) CD38DYRK1ANOTUMDYRK2DYRK1B
SCHEMBL48894 0.79 DYRK1A (0.55) CD38DYRK1ANOTUMDYRK2DYRK1B
SCHEMBL19219067 0.77 DYRK1A (0.53) CD38DYRK1ANOTUMDYRK2DYRK1B
SCHEMBL999315 0.77 HDAC8 (0.46) CD38DYRK1AKMT2ASLC6A3SLC6A2
SCHEMBL5179594 0.77 ESR1 (0.50) DYRK1AKMT2ADYRK2DYRK1BRAB9A
Ammonia Solution, Strong SCHEMBL28177501 0.77 DYRK1A (0.53) CD38DYRK1ADYRK2DYRK1BKDM4E
SCHEMBL7915410 0.77 CD38 (0.49) CD38DYRK1ASLC6A3SLC6A2DYRK2
SCHEMBL4541085 0.77 CD38 (0.49) CD38DYRK1ASLC6A3SLC6A2DYRK2
SCHEMBL14320606 0.77 APP (0.50) CD38DYRK1AKMT2ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912626-B Thiazolotriazole superoxide dismutase agonist and preparation method and application thereof 浙江瑀美生物科技有限公司 2021-07-23 CN claimed
CN-109912626-A A kind of thiazole and triazole superoxide dismutase agonist and its preparation method and application 河南湾流生物科技有限公司 2019-06-21 CN claimed
CN-109912626-B Thiazolotriazole superoxide dismutase agonist and preparation method and application thereof 浙江瑀美生物科技有限公司 2021-07-23 CN disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
CN-109912626-A A kind of thiazole and triazole superoxide dismutase agonist and its preparation method and application 河南湾流生物科技有限公司 2019-06-21 CN disclosed
CN-109293652-A A kind of substituted thiazole and application thereof 四川科伦博泰生物医药股份有限公司 2019-02-01 CN disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2951167-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-25 EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 WO disclosed
CN-103965136-A Method for preparing N-Methylthiazoline-2-ketone compound SUZHOU BOFEITE NEW MATERIALS TECHNOLOGY CO LTD 2014-08-06 CN disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 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 (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-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CD38 881/4885DYRK1A 4786/4885KMT2A 2953/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 CD38 906/4885DYRK1A 1587/4885KMT2A 313/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CD38 3038/4885DYRK1A 4523/4885KMT2A 4200/4885

“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.