SCHEMBL23558

SCHEMBL23558

COc1cccc(N=C=S)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
MIF P14174 1/20 0.48
ACHE P22303 1/20 0.45
CYP3A4 P08684 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP1A2 P05177 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GSK3B P49841 2/20 0.44
CDK2 P24941 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
SYK P43405 1/20 0.44
PIK3CG P48736 1/20 0.44

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
SCHEMBL29444412 0.82 MIF (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10818541 0.81 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17707284 0.81 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23447 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29541540 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3085833 0.80 CYP3A4 (0.49) MIFCYP3A4CYP1A2TDP1MAPT
SCHEMBL5796149 0.80 MIF (0.44) MIFCYP3A4MAPTMEN1KMT2A
SCHEMBL1021008 0.79 ALDH1A1 (0.50) MIFCYP3A4CYP1A2MAPTMEN1
SCHEMBL28866376 0.79 MIF (0.52) MIFCYP3A4CYP1A2TDP1MAPT
SCHEMBL9857139 0.79 MIF (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947780-B Preparation method of thiazolidine-4-thioketone derivative 华侨大学 2025-06-03 CN claimed
CN-117924210-A Preparation method of 2-iminothiazolidine-4-ketone compound 赣南师范大学 2024-04-26 CN claimed
EP-3383378-B1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2024-04-17 EP claimed
CN-114751868-B Diaryl substituted triazole acetic acid compound, and preparation method and application thereof 山东理工大学 2024-04-12 CN claimed
CN-114516848-B Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2024-02-02 CN claimed
CN-116947780-A Preparation method of thiazolidine-4-thioketone derivative 华侨大学 2023-10-27 CN claimed
CN-114751868-A Diaryl-substituted triazole acetic acid compound and preparation method and application thereof 山东理工大学 2022-07-15 CN claimed
CN-114516848-A Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2022-05-20 CN claimed
EP-3383376-B1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) PROCTER & GAMBLE (US) 2021-05-12 EP claimed
CN-109265382-A A kind of fluorine-containing thiocarbamates compound and its synthetic method 湖北科技学院 2019-01-25 CN claimed
WO-2017095995-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE PROCTER & GAMBLE COMPANY (US) 2017-06-08 WO claimed
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) THE CLEVELAND CLINIC FOUNDATION 2017-06-01 US claimed
CN-106045938-A Synthesis method of dehydroabietic-acid-based B ring-fused-thiazole-thiocarbamide compounds 广西大学 2016-10-26 CN claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
CN-103864655-B A kind of synthetic method of dehydrogenation abietyl thiourea derivative GUANGXI UNIVERSITY (CN) 2015-12-30 CN claimed
CN-103864655-A Synthetic method of dehydroabietic acid group thiourea derivative UNIV GUANGXI 2014-06-18 CN claimed
CN-101792440-B Quinazolinone derivatives, preparation and application thereof EAST CHINA NORMAL UNIVERSITY (CN) 2011-12-28 CN claimed
CN-101792440-A Quinazolinone derivatives, preparation and application thereof UNIV EAST CHINA NORMAL 2010-08-04 CN claimed

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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 HTR3E 2361/4885HTR3B 2360/4885HTR3A 3106/4885
US-20170151208-A1 METHODS FOR INHIBITING CONVERSION OF CHOLINE TO TRIMETHYLAMINE (TMA) HNMT, BHMT, PNMT HTR3E 856/4885HTR3B 517/4885HTR3A 646/4885
US-20170151250-A1 METHODS FOR INHIBITING CONVERSION OF CARNITINE TO TRIMETHYLAMINE (TMA) CRAT, CPT1A, CPT1B HTR3E 1282/4885HTR3B 931/4885HTR3A 1354/4885

“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.