SCHEMBL509722

SCHEMBL509722

Cc1cc(C)c(CS)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
RAPGEF4 Q8WZA2 3/20 0.39
IDO1 P14902 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL441710 0.77 PGK1 (0.44) IDO1HTR1DMAPTMEN1KMT2A
SCHEMBL14959898 0.76 HTR1D (0.56) HRH3HTR1DHTR1BMAPTALDH1A1
SCHEMBL27995904 0.75 HRH3 (0.54) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL1316919 0.75 HTR1D (0.48) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL9170599 0.74 ALDH1A1 (0.36) IDO1ALDH1A1TSHR
SCHEMBL16612059 0.74 ALDH1A1 (0.46) IDO1ALDH1A1KDM4ELMNAGAA
SCHEMBL28489168 0.73 HRH3 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL327084 0.73 HRH3 (0.41) HRH3RAPGEF4CYP11B1CYP11B2HTR1D
SCHEMBL5351172 0.72 PGK1 (0.37)
SCHEMBL5352095 0.71 IDO1 (0.38) IDO1MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105520930-A Applications of a class of flavane compounds in prevention or treatment of melanoma INST MATERIA MEDICA CAMS 2016-04-27 CN claimed
CN-118851958-A Acyl sulfonamide compound, preparation method and application thereof 中国医学科学院药物研究所 2024-10-29 CN disclosed
WO-2024089170-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-05-02 WO disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 US disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 US disclosed
US-11618763-B2 Selective valorization of biomass sugars MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-04-04 US disclosed
US-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US disclosed
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2022-07-14 US disclosed
EP-3750896-B1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND TAKASAGO PERFUMERY CO LTD (JP) 2022-06-29 EP disclosed
EP-3901135-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-27 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed
CN-1060844-A Pyrimidine derivatives, its method for making and inhibitor for androgen OTSUKA PHARMA CO LTD (JP) 1992-05-06 CN disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 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-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors P4HA1, PAH, EGLN3 HRH3 264/4885RAPGEF4 3349/4885IDO1 256/4885
US-20220218713-A1 PLEUROMUTILIN DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY MICROBES FABP2, PLEC, FABP6 HRH3 1173/4885RAPGEF4 2615/4885IDO1 1036/4885
US-11618763-B2 Selective valorization of biomass sugars GALE, FBP1, GNE HRH3 4538/4885RAPGEF4 4330/4885IDO1 996/4885
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES TST, CBS, CTH HRH3 3089/4885RAPGEF4 3962/4885IDO1 1812/4885

“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.