SCHEMBL827310

SCHEMBL827310

NC(=O)c1cccc2sccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
CNR2 P34972 1/20 0.44
MAPK8 P45983 6/20 0.43
JUN P05412 1/20 0.43
MAPK9 P45984 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL30745208 1.00 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL2083799 0.82 NR4A1 (0.48) ALDH1A1KDM4ECNR2HPGDTSHR
SCHEMBL827674 0.81 CNR2 (0.44) ALDH1A1MAPTKDM4EGAACNR2
Hydrochloric Acid SCHEMBL9431553 0.79 PLAU (0.39) KMT2ACNR2MAPK8JUNMAPK9
SCHEMBL4831587 0.78 CNR2 (0.41) ALDH1A1CNR2MAPK8JUNMAPK9
SCHEMBL4084303 0.77 PLK1 (0.54) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL29599494 0.77 TSHR (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL826816 0.77 TSHR (0.46) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL6337807 0.77 CNR2 (0.41) GAACNR2HPGDHDAC3HDAC4
SCHEMBL14380682 0.77 CNR2 (0.41) ALDH1A1CNR2HPGDHSD17B10HDAC3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN claimed
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 CN disclosed
CN-117510483-A Isoxazoline compounds for controlling invertebrate pests FMC公司 2024-02-06 CN disclosed
CN-117510485-A Isoxazoline compounds for controlling invertebrate pests FMC公司 2024-02-06 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
CN-112689632-A Isoxazoline compounds for controlling invertebrate pests FMC公司 2021-04-20 CN disclosed
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
EP-1481978-B1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO (JP) 2011-09-14 EP disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 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 (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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS ALDH1A1 3867/4885MAPT 1364/4885KMT2A 3460/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS ALDH1A1 3952/4885MAPT 1253/4885KMT2A 3775/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALDH1A1 3867/4885MAPT 1364/4885KMT2A 3460/4885

“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.