SCHEMBL945783

SCHEMBL945783

COc1ccc(Cl)cc1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
APLNR P35414 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL168350 0.82 ALDH1A1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30313129 0.82 ALDH1A1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1457686 0.81 CA12 (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL30940602 0.81 CA12 (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1020510 0.80 ACHE (0.50) ALDH1A1MAPTCYP3A4MAPK1APLNR
SCHEMBL11415006 0.80 APLNR (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22469823 0.79 ALPL (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6113969 0.79 APLNR (0.40) ALDH1A1CYP3A4MAPK1APLNRMEN1
SCHEMBL6117909 0.79 APLNR (0.40) ALDH1A1CYP3A4APLNRLMNAKDM4E
SCHEMBL2142308 0.77 APLNR (0.39) ALDH1A1MAPTCYP1A2CYP3A4APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138358-B USP8 inhibitor and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed
CN-111138358-A USP8 inhibitor and preparation method and application thereof 中国药科大学 2020-05-12 CN disclosed
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 EP disclosed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
US-8865753-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-21 US disclosed
EP-0876354-A1 2-(SUBSTITUTED SULFANYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-11 EP disclosed
US-5783707-A ANTICHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-21 US disclosed
WO-1997019931-A1 2-(SUBSTITUTED SULFANYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-05 WO disclosed
WO-1997019932-A1 2-THIOXO-IMIDAZOLIDIN-4-ONE DERIVATIVES AND THEIR USE FOR INCREASING HDL CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-05 WO disclosed
US-5599829-A FOR INCREASED HIGH DENSITY LIPOPROTEIN LEVELS IN BLOOD AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-04 US disclosed
US-5554607-A INCREASING HDL CHOLESTEROL AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-10 US disclosed
US-5393883-A Ribonucleotide reductase inhibitors BURROUGHS WELLCOME CO. (US) 1995-02-28 US disclosed
US-5175165-A Acyclovir and a thiocarbonohydrazone ribonucleotide reductase inhibitor for treatment of herpes virus BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
EP-0349243-B1 ANTIVIRAL COMBINATIONS AND COMPOUNDS THEREFOR THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP disclosed
EP-0349243-A2 Antiviral combinations and compounds therefor THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-03 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 (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-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 HTR3E 2019/4885HTR3B 2158/4885HTR3A 1902/4885

“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.