SCHEMBL261033

SCHEMBL261033

CC1=C(CCO)SCN1Cc1cnc(C)nc1N

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TKT P29401 6/20 0.51
HSP90AA1 P07900 1/20 0.45
LMNA P02545 1/20 0.40
DRD4 P21917 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
SCHEMBL30758706 1.00 TKT (0.51) TKTHSP90AA1LMNADRD4
Hydrochloric Acid SCHEMBL1326627 0.99 TKT (0.50) TKTHSP90AA1LMNADRD4
Hydrochloric Acid SCHEMBL29404983 0.99 TKT (0.50) TKTHSP90AA1LMNADRD4
Hydrochloric Acid SCHEMBL9000282 0.98 TKT (0.49) TKTHSP90AA1LMNADRD4
Sulfuric Acid SCHEMBL27790987 0.94 TKT (0.49) TKTHSP90AA1LMNA
Nitric Acid SCHEMBL27791065 0.92 TKT (0.47) TKTHSP90AA1LMNA
Nitric Acid SCHEMBL27769557 0.92 TKT (0.47) TKTHSP90AA1LMNA
Bromide SCHEMBL29044448 0.92 TKT (0.46) TKTHSP90AA1LMNADRD4
Quinoline SCHEMBL27627708 0.88 TKT (0.42) TKTHSP90AA1DRD4
SCHEMBL27941838 0.88 TKT (0.41) TKTHSP90AA1LMNADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110139713-A1 METHOD OF TREATMENT FOR WASTE WATER USING MICROBIALGROWTH PROMOTER NRP GROUP, INC. 2011-06-16 US claimed
US-7629179-B2 Surfaces coated with target-induced fluorescent compounds for detection of target elements UNIVERSITY OF NORTH DAKOTA (US) 2009-12-08 US claimed
US-20060199281-A1 Nanoparticle linked with 2,3-diaminonapthalene THE UNIVERSITY OF NORTH DAKOTA 2006-09-07 US claimed
CN-117550963-B Preparation method of acetyl butanediol 济南悟通生物科技有限公司 2024-04-16 CN disclosed
CN-117550963-A Preparation method of acetyl butanediol 济南悟通生物科技有限公司 2024-02-13 CN disclosed
US-20230058125-A1 NONVISUAL INDICATION OF AN UNWANTED CHEMICAL IN AN INGESTIBLE SUBSTANCE HOLMES STEPHEN F (US) 2023-02-23 US disclosed
US-20230058125-A1 NONVISUAL INDICATION OF AN UNWANTED CHEMICAL IN AN INGESTIBLE SUBSTANCE HOLMES STEPHEN F (US) 2023-02-23 US disclosed
CN-215931679-U Colloidal gold test paper for rapidly detecting vitamin B1 in food 深圳大学 2022-03-01 CN disclosed
US-20200116684-A1 NONVISUAL INDICATION OF AN UNWANTED CHEMICAL IN AN INGESTIBLE SUBSTANCE HOLMES STEPHEN F (US) 2020-04-16 US disclosed
WO-2016061490-A1 NONVISUAL INDICATION OF AN UNWANTED CHEMICAL IN AN INGESTIBLE SUBSTANCE HOLMES STEPHEN F (US) 2016-04-21 WO disclosed
CN-105315272-A Method for preparing thiamine hydrochloride crystal product UNIV TIANJIN 2016-02-10 CN disclosed
US-20060178322-A1 Methods for indentifying compounds that modulate an enzyme involved in riboflavin metabolism in a pathogenic microorganism SCHECHTER ALAN M 2006-08-10 US disclosed
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US disclosed
US-20060063224-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway SCHECHTER ALAN M 2006-03-23 US disclosed
WO-2005105765-A1 NITRIC OXIDE DONORS AND USES THEREOF RENOPHARM LTD. (IL) 2005-11-10 WO disclosed
WO-2005105065-A2 THIAZOLE-BASED NITRIC OXIDE DONORS FOR TREATING INFLAMMATORY BOWEL DISEASES RENOPHARM LTD. (IL) 2005-11-10 WO disclosed
US-6955890-B2 Method for the identification and treatment of pathogenic microorganisms infections by inhibiting one or more enzymes in an essential metabolic pathway PYRO PHARMACEUTICALS, INC. (US) 2005-10-18 US disclosed
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor PYRO PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030180830-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway PYRO PHARMACEUTICALS, INC. 2003-09-25 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 (4 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-20060178322-A1 Methods for indentifying compounds that modulate an enzyme involved in riboflavin metabolism in a pathogenic microorganism BLVRB, IMPDH1, IMPDH2 TKT 162/4885HSP90AA1 3145/4885LMNA 2663/4885
US-20040006040-A1 Method for the identification and treatment of pathogenic microorganism infections by inhibiting one or more enzymes in an essential metabolic pathway and compounds and pharmaceutical compositions useful therefor CYP51A1, ME1, BPGM TKT 24/4885HSP90AA1 3513/4885LMNA 3872/4885
US-20060069139-A1 Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof NOS2, NOS1, NOS3 TKT 388/4885HSP90AA1 1521/4885LMNA 4082/4885
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 TKT 444/4885HSP90AA1 2425/4885LMNA 3851/4885

“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.