SCHEMBL371856

SCHEMBL371856

O=C(Cc1ccccc1)N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
CTBP2 P56545 1/20 0.46
MIF P14174 3/20 0.45
TRPA1 O75762 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HIF1A Q16665 2/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2A13 Q16696 1/20 0.42
EPAS1 Q99814 1/20 0.42

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
Acetonitrile SCHEMBL27648412 0.91 CES1 (0.42) CES1CES2AKR1B1CTBP2MIF
Toluene SCHEMBL29217701 0.91 L3MBTL1 (0.45) CES1CES2AKR1B1CTBP2MIF
SCHEMBL1357419 0.82 CES1 (0.52) CES1CES2AKR1B1CTBP2ALDH1A1
Toluene SCHEMBL4327028 0.81 SMN1; SMN2 (0.44) CTBP2MIFALDH1A1CYP3A4HPGD
SCHEMBL3567707 0.81 KEAP1 (0.53) MIFTRPA1ALDH1A1HDAC8HDAC6
SCHEMBL3574828 0.81 CTBP2 (0.47) CTBP2MIFALDH1A1CYP3A4HPGD
SCHEMBL5825140 0.81 CES2 (0.39) CES1CES2CTBP2MIFTRPA1
SCHEMBL16280718 0.81 CTBP2 (0.47) CTBP2ALDH1A1HPGDMEN1KMT2A
SCHEMBL105873 0.81 MIF (0.48) CTBP2MIFALDH1A1KMT2AFFAR1
SCHEMBL27825858 0.80 CTBP2 (0.51) CTBP2ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107889-A1 PROCESS FOR PRODUCING ACYLTHIOUREA COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-04-06 US claimed
EP-4105200-A1 METHOD FOR PRODUCING ACYLTHIOUREA COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2022-12-21 EP claimed
CN-115087637-A Process for producing acylthiourea compound 大鹏药品工业株式会社 2022-09-20 CN claimed
WO-2021162096-A1 METHOD FOR PRODUCING ACYLTHIOUREA COMPOUND 大鵬薬品工業株式会社 2021-08-19 WO claimed
CN-117800908-A Edge-like substance of thiosemicarbazide compound 大鹏药品工业株式会社 2024-04-02 CN disclosed
US-20230107889-A1 PROCESS FOR PRODUCING ACYLTHIOUREA COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-04-06 US disclosed
US-20230107889-A1 PROCESS FOR PRODUCING ACYLTHIOUREA COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-04-06 US disclosed
EP-4105200-A1 METHOD FOR PRODUCING ACYLTHIOUREA COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2022-12-21 EP disclosed
EP-4105200-A1 METHOD FOR PRODUCING ACYLTHIOUREA COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2022-12-21 EP disclosed
CN-115103834-A Kindred material of thiosemicarbazide compound 大鹏药品工业株式会社 2022-09-23 CN disclosed
CN-115087637-A Process for producing acylthiourea compound 大鹏药品工业株式会社 2022-09-20 CN disclosed
CN-115087637-A Process for producing acylthiourea compound 大鹏药品工业株式会社 2022-09-20 CN disclosed
US-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. (CA) 2006-04-06 US disclosed
WO-2006014325-A2 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2006-02-09 WO disclosed
WO-2006010264-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2006-02-02 WO disclosed
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative EISAI CO., LTD. (JP) 2005-12-15 US disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
EP-0092391-A2 Novel piperidine derivatives and pharmaceutical compositions containing same KYOWA HAKKO KOGYO CO., LTD (JP) 1983-10-26 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 (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-20060074056-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CES1 3676/4885CES2 4799/4885AKR1B1 1143/4885
US-20050277652-A1 Novel pyridine derivative and pyrimidine derivative HGF, MET, HDGF CES1 1862/4885CES2 4812/4885AKR1B1 310/4885
US-20230107889-A1 PROCESS FOR PRODUCING ACYLTHIOUREA COMPOUND AGPAT2, ACAT2, AADAC CES1 1443/4885CES2 326/4885AKR1B1 2394/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CES1 2399/4885CES2 1425/4885AKR1B1 2970/4885

“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.