SCHEMBL4495963

SCHEMBL4495963

c1ccc2c(c1)CCSN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4493865 0.87 MAPT (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3489535 0.76
SCHEMBL28790061 0.71 PDPK1 (0.53) MAPTALDH1A1TSHRCES1MAOB
SCHEMBL4489118 0.70 ALOX15 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4502929 0.68 MAOB (0.46) HTR2CTSHRALOX15HSD17B10CES1
SCHEMBL13545536 0.67 MEN1 (0.33) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL407439 0.67 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6653300 0.67 KDM4E (0.41) MAPTMEN1KMT2AGAAKDM4E
SCHEMBL4494030 0.64 ITGB2 (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4860332 0.64 TSHR (0.53) HTR2CTSHRPLAUCES1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154758-A1 A1H-BENZO[C][1,2]THIADIAZINE-2,2-DIOXIDES BEARING HETEROCYCLIC LINKERS AS SELECTIVE HISTONE DEACETYLASE 6 INHIBITORS GEORGETOWN UNIVERSITY (US) 2023-08-17 WO disclosed
CN-108003114-B Preparation method of 3,3' -diphenyl-2H, 2' H-2, 2' -dibenzo [1,4] thiazine 聊城大学 2021-02-19 CN disclosed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-10448639-B2 Fungicidal pyrazoles FMC CORPORATION (US) 2019-10-22 US disclosed
CN-108003114-A One kind 3,3 '-bis- phenyl -2H, the preparation method of 2 ' H-2,2 '-dibenzo [1,4] thiazine 聊城大学 2018-05-08 CN disclosed
US-9775845-B2 Carbazole-containing sulfonamides as cryptochrome modulators RESET THERAPEUTICS, INC. (US) 2017-10-03 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170223959-A1 FUNGICIDAL PYRAZOLES FMC CORPORATION 2017-08-10 US disclosed
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-06-08 US disclosed
US-9655361-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2017-05-23 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
CN-1328451-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-26 CN disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP 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 (5 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-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE NPC1 1932/4885MAPK13 3655/4885MAPK12 3945/4885
US-10448639-B2 Fungicidal pyrazoles CBR3, CBR1, CYP2S1 NPC1 978/4885MAPK13 2877/4885MAPK12 3589/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA NPC1 469/4885MAPK13 1394/4885MAPK12 2045/4885
US-20170223959-A1 FUNGICIDAL PYRAZOLES CBR3, CBR1, CYP2S1 NPC1 978/4885MAPK13 2877/4885MAPK12 3589/4885
US-20170158680-A1 HETEROCYCLIC COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF CYP11B2, CYP11B1, ADCYAP1R1 NPC1 64/4885MAPK13 428/4885MAPK12 750/4885

“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.