SCHEMBL826728

SCHEMBL826728

CC(C)c1cccc2sccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
SLC6A2 P23975 2/20 0.41
GABRB2 P47870 2/20 0.41
HTR2C P28335 2/20 0.41
LMNA P02545 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL29945210 1.00 GABRA1 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL29985513 0.84 CYP1A2 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL20509484 0.84 CYP1A2 (0.41) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL19682339 0.84 P2RX7 (0.36) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL16844603 0.84 ADRA2A (0.39) GABRA1GABRG2GABRB3SLC6A2GABRB2
SCHEMBL3797934 0.81 TSHR (0.44) SLC6A2HTR2CTSHRADRA2AADRA2B
SCHEMBL25628272 0.81 GPR139 (0.37) SLC6A2ADRA2AADRA2BSLC6A4SLC6A3
SCHEMBL4447936 0.80 ALOX5 (0.34) SLC6A2ADRA2AADRA2BSLC6A4SLC6A3
SCHEMBL10367027 0.80 CXCL8 (0.41) LMNAHPGDPTGS1ADRA2AADRA2B
SCHEMBL2957620 0.79 ADRA2A (0.41) SLC6A2LMNAADRA2AADRA2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN claimed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
WO-2023183613-A2 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR INFLAMMATION TACTOGEN INC (US) 2023-09-28 WO disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 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 (9 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 GABRA1 1791/4885GABRG2 1733/4885GABRB3 1406/4885
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 GABRA1 1308/4885GABRG2 1141/4885GABRB3 834/4885
US-20240025916-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GABRA1 3844/4885GABRG2 2405/4885GABRB3 3739/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS GABRA1 691/4885GABRG2 1869/4885GABRB3 1029/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE GABRA1 11/4885GABRG2 33/4885GABRB3 10/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 GABRA1 915/4885GABRG2 914/4885GABRB3 1898/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 GABRA1 915/4885GABRG2 914/4885GABRB3 1898/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 GABRA1 29/4885GABRG2 87/4885GABRB3 58/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 GABRA1 1735/4885GABRG2 1163/4885GABRB3 914/4885

“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.