SCHEMBL8975178

SCHEMBL8975178

Cc1cc(Cl)cc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RAPGEF4 Q8WZA2 3/20 0.46
SCN4A P35499 4/20 0.40
CES1 P23141 1/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
AHR P35869 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TP53 P04637 1/20 0.35
CD44 P16070 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL1828947 0.84 RAPGEF4 (0.46) TSHRRAPGEF4SCN4ACES1CYP3A4
SCHEMBL13648047 0.80 GAA (0.38) TSHRRAPGEF4SCN4ACYP3A4ALDH1A1
SCHEMBL11229241 0.80 CYP3A4 (0.52) TSHRRAPGEF4SCN4ACYP3A4ALDH1A1
SCHEMBL10144171 0.80 TSHR (0.35) TSHRRAPGEF4SCN4ACES1CYP3A4
SCHEMBL12925873 0.80 CES1 (0.36) TSHRRAPGEF4SCN4ACES1CYP3A4
SCHEMBL7723814 0.80 ALDH1A1 (0.44) TSHRRAPGEF4SCN4ACYP3A4ALDH1A1
SCHEMBL765882 0.79 CYP3A4 (0.58) TSHRRAPGEF4SCN4ACES1CYP3A4
SCHEMBL11425977 0.76 MAP3K14 (0.46) SCN4ACYP3A4FFAR4GAA
SCHEMBL14597274 0.76 SCN4A (0.36) TSHRRAPGEF4SCN4ACES1ALDH1A1
SCHEMBL13890679 0.76 SCN4A (0.32) TSHRRAPGEF4SCN4ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 2023-12-19 US disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
EP-3386500-B1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATORS UNIV ILLINOIS (US) 2022-09-07 EP disclosed
US-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-06-23 US disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 US disclosed
EP-3888749-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University of Queensland (AU) 2021-10-06 EP disclosed
US-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds The Board of Trustees of lhe University of Illinois (US) 2021-07-27 US disclosed
EP-3578547-B1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME UNIV QUEENSLAND (AU) 2021-05-26 EP disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 US disclosed
WO-2021076890-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2021-04-22 WO disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7365078-B2 Triaza-cyclopenta[cd]indene derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-7365078-B2 Triaza-cyclopenta[cd]indene derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO disclosed
EP-1787992-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-23 EP disclosed
US-20070060602-A1 Triaza-cyclopenta [cd] indene derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060602-A1 Triaza-cyclopenta [cd] indene derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1704149-B1 TRIAZA-CYCLOPENTA[CD]INDENE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2007-03-07 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 (8 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 TSHR 504/4885RAPGEF4 2633/4885SCN4A 1093/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 TSHR 4210/4885RAPGEF4 2478/4885SCN4A 1452/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 TSHR 4025/4885RAPGEF4 2446/4885SCN4A 2002/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 TSHR 4026/4885RAPGEF4 2346/4885SCN4A 1711/4885
US-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS ESR1, ESR2, GPER1 TSHR 287/4885RAPGEF4 2235/4885SCN4A 3751/4885
US-20070060602-A1 Triaza-cyclopenta [cd] indene derivatives GIPR, HRH2, HRH1 TSHR 167/4885RAPGEF4 963/4885SCN4A 3344/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F TSHR 3349/4885RAPGEF4 758/4885SCN4A 31/4885
US-11072595-B2 Benzothiophene-based selective estrogen receptor downregulator compounds ESR1, ESR2, GPER1 TSHR 287/4885RAPGEF4 2235/4885SCN4A 3751/4885

“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.