SCHEMBL6971804

SCHEMBL6971804

CNc1ccc(SC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
APP P05067 2/20 0.47
IDO1 P14902 1/20 0.47
PLK1 P53350 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
RECQL P46063 1/20 0.44
SLC6A4 P31645 2/20 0.43
LMNA P02545 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 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
SCHEMBL23918534 0.80 KDM1A (0.52) ALDH1A1MAPTIDO1PLK1TSHR
SCHEMBL4154037 0.80 ALDH1A1 (0.54) ALDH1A1MAPTAPPTSHRMEN1
SCHEMBL11507985 0.80 ALDH1A1 (0.54) ALDH1A1MAPTAPPTSHRMEN1
SCHEMBL153943 0.78 TSHR (0.67) ALDH1A1MAPTAPPTSHRMEN1
SCHEMBL83839 0.78 ALDH1A1 (0.58) ALDH1A1IDO1PLK1MEN1KMT2A
SCHEMBL1143678 0.76 IDO1 (0.55) ALDH1A1MAPTIDO1PLK1MEN1
SCHEMBL20038680 0.76 ALDH1A1 (0.50) ALDH1A1MAPTAPPIDO1TSHR
SCHEMBL11815020 0.76 IDO1 (0.50) ALDH1A1MAPTIDO1PLK1MEN1
SCHEMBL27800216 0.76 IDO1 (0.45) ALDH1A1MAPTIDO1PLK1MEN1
SCHEMBL24140273 0.76 ALDH1A1 (0.50) ALDH1A1MAPTAPPTSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240350496-A1 Design, Synthesis, and Structure-Activity Relationships of Substituted Pyrido[3,2-d]Pyrimidines as Microtubule Targeting Agents and Anti-Cancer Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2024-10-24 US disclosed
US-20240247142-A1 NOVEL AMINE FUNCTIONALIZED POLYMERS AND METHODS OF PREPARATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-07-25 US disclosed
CN-117843633-A Sulfoximine compounds, pharmaceutical compositions and uses thereof 上海海和药物研究开发股份有限公司 2024-04-09 CN disclosed
CN-115722266-B Azacarbene-amino-ruthenium catalyst, and preparation method and application thereof 广东药科大学 2024-04-05 CN disclosed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO disclosed
CN-112585176-B Novel amine-functionalized polymers and process for their preparation 不列颠哥伦比亚大学 2023-10-24 CN disclosed
EP-3760662-B1 POLYCARBONATE AND PREPARATION METHOD THEREOF LG CHEMICAL LTD (KR) 2023-10-04 EP disclosed
WO-2023156485-A1 TRIARYLALKYL BORATE SALTS AS COINITIATORS IN NIR PHOTOPOLYMER COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2023-08-24 WO disclosed
CN-115722266-A Novel aza-carbene-amido-ruthenium catalyst and preparation method and application thereof 广东药科大学 2023-03-03 CN disclosed
US-11555107-B2 Amine functionalized polymers and methods of preparation THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-01-17 US disclosed
EP-0169101-B1 PROCESS FOR PREPARING (HYDROCARBYLTHIO)CYCLIC AMINES ETHYL CORPORATION (US) 1988-08-24 EP disclosed
US-4594453-A Reacting hydrocarbyl disulfide with aromatic amine ETHYL CORPORATION (US) 1986-06-10 US disclosed
US-4585471-A PREEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0169101-A1 Process for preparing (hydrocarbylthio)cyclic amines ETHYL CORPORATION (US) 1986-01-22 EP disclosed
US-4549899-A Hericidally active novel substituted 3-trihalogenomethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-10-29 US disclosed
US-4540430-A Herbicidally active novel substituted 3-trichloromethyl-1,2,4-thiadiazol-5-yl-oxyacetamides BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
US-4500341-A PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
EP-0014880-B1 PHENOXYCARBOXYLIC ACID AMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1982-09-22 EP disclosed
EP-0014880-A1 Phenoxycarboxylic acid amides, process for their preparation and their use as herbicides BAYER AG (DE) 1980-09-03 EP disclosed
US-3982019-A Insecticidal compositions containing trifluoromethyl ureas and method of controlling insects using said compositions VELSICOL CHEMICAL CORPORATION (US) 1976-09-21 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 (1 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-20240350496-A1 Design, Synthesis, and Structure-Activity Relationships of Substituted Pyrido[3,2-d]Pyrimidines as Microtubule Targeting Agents and Anti-Cancer Agents MAP2, TUBB6, TUBB1 ALDH1A1 1800/4885MAPT 29/4885APP 4094/4885

“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.