SCHEMBL442250

SCHEMBL442250

NNC(=S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX12 P18054 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R38 P59533 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6692155 0.80 POLB (0.47) POLBHPGDNPC1RAB9AALDH1A1
SCHEMBL27705215 0.78 DHODH (0.43) ALDH1A1GAAMEN1KMT2A
SCHEMBL9247344 0.78 POLB (0.54) POLBHPGDNPC1RAB9AALDH1A1
SCHEMBL3062971 0.78 POLB (0.54) POLBHPGDNPC1RAB9AALDH1A1
SCHEMBL3079333 0.76 POLB (0.52) POLBHPGDNPC1RAB9AALDH1A1
SCHEMBL3084825 0.75 ALDH1A1 (0.63) POLBHPGDNPC1RAB9AALDH1A1
SCHEMBL4192188 0.75 NPC1 (0.48) HPGDNPC1RAB9AALDH1A1GAA
SCHEMBL17674229 0.75 OGG1 (0.56) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL1753793 0.75 IDO1 (0.52) RAB9AGAAMEN1KMT2AMAOA
SCHEMBL7317371 0.75 CYP2D6 (0.56) POLBHPGDALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304135-A Synthesis method of 4-substituted-5H-1, 2, 3-dithiazole-5-thione and derivative 衡阳师范学院 2023-12-29 CN claimed
CN-103109816-A Thiobenzamide compounds and application thereof UNIV QINGDAO SCIENCE & TECHNOLOGY 2013-05-22 CN claimed
EP-4584263-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND USES THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2025-07-16 EP disclosed
WO-2024054071-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND USES THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-03-14 WO disclosed
CN-117304135-A Synthesis method of 4-substituted-5H-1, 2, 3-dithiazole-5-thione and derivative 衡阳师范学院 2023-12-29 CN disclosed
CN-111995620-B Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2023-06-06 CN disclosed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
CN-111995620-A Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2020-11-27 CN disclosed
US-4423045-A CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-27 US disclosed
US-4401821-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
EP-0080296-A1 Pharmaceutically active phenyl-thia-, oxa- or triazinones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-01 EP disclosed
EP-0019760-B1 ESTERS OF 3-ARYL-5-METHYL-PYRAZOLE-4-CARBOXYLIC ACID, HERBICIDES CONTAINING THEM, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed
EP-0052442-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-05-26 EP disclosed
US-4282169-A FUNGICIDES OLIN CORPORATION (US) 1981-08-04 US disclosed
EP-0019760-A1 Esters of 3-aryl-5-methyl-pyrazole-4-carboxylic acid, herbicides containing them, process for their preparation and their use BASF Aktiengesellschaft (DE) 1980-12-10 EP disclosed
US-4182866-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 US disclosed
US-4000147-A ANTICONVULSANTS, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DT) 1976-12-28 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 POLB 880/4885HPGD 3310/4885NPC1 4571/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 POLB 788/4885HPGD 2984/4885NPC1 4192/4885

“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.