SCHEMBL4547937

SCHEMBL4547937

Cc1c(F)cc(C(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 1/20 0.32
PTGS2 P35354 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL21479474 0.87 EIF4A3 (0.37) EIF4A3GABRA1GABRB2LMNATRPA1
SCHEMBL22168395 0.85 EIF4A3 (0.36) EIF4A3GABRA1GABRB2LMNATRPA1
SCHEMBL12144344 0.80 HTR2A (0.36) EIF4A3GABRA1GABRB2
SCHEMBL12360643 0.80 HDAC4 (0.38) EIF4A3GABRA1GABRB2LMNA
SCHEMBL8134770 0.80 CES2 (0.41) EIF4A3GABRA1GABRB2LMNATRPA1
SCHEMBL20632409 0.79 HDAC1 (0.39) EIF4A3HDAC1HDAC6LMNAPTGS1
SCHEMBL19654073 0.79 ADRB2 (0.36) HDAC1HDAC6ADRB2
SCHEMBL12563296 0.79 ADRB2 (0.36) HDAC1HDAC6ADRB2
SCHEMBL7732357 0.79 HDAC1 (0.34) HDAC1HDAC6
SCHEMBL19654075 0.79 ADRB2 (0.36) HDAC1HDAC6ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV ASSEMBLY BIOSCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use BEIGENE SWITZERLAND GMBH (CH) 2024-06-27 US disclosed
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES MERCK SHARP & DOHME LLC (US) 2024-02-29 US disclosed
WO-2023242598-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2023-12-21 WO disclosed
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF PROMEGA CORPORATION 2023-11-09 US disclosed
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RES INST (US) 2023-09-14 US disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
WO-2022268052-A9 (R) -GLUTARIMIDE CRBN LIGANDS AND METHODS OF USE BEIGENE, LTD. (KY) 2023-08-17 WO disclosed
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SOUTHERN RESEARCH INSTITUTE (US) 2023-08-08 US disclosed
US-20230212119-A1 N,N-DIMETHYLTRYPTAMINE AND RELATED PSYCHEDELICS AND USES THEREOF TERRAN BIOSCIENCES INC. 2023-07-06 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
EP-2351741-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-08-03 EP disclosed
US-20110147655-A1 POLAR NEMATIC COMPOUNDS NATIONAL SCIENCE FOUNDATION 2011-06-23 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100317677-A1 Methods of Treating a Microbial Infection by Modulating RNase-L Expression and/or Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 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 (17 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EIF4A3 3219/4885GABRA1 546/4885GABRB2 80/4885
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SMN1; SMN2, TDP2, TDP1 EIF4A3 2300/4885GABRA1 1342/4885GABRB2 544/4885
US-20230357266-A1 PHOTOACTIVATABLE COMPOUNDS AND USES THEREOF BTD, HLCS, TYR EIF4A3 3140/4885GABRA1 339/4885GABRB2 738/4885
US-20100317677-A1 Methods of Treating a Microbial Infection by Modulating RNase-L Expression and/or Activity RNASEL, RNASE1, RNASEH1 EIF4A3 1245/4885GABRA1 4825/4885GABRB2 4840/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 EIF4A3 4527/4885GABRA1 3150/4885GABRB2 2417/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EIF4A3 3642/4885GABRA1 542/4885GABRB2 140/4885
US-20230212119-A1 N,N-DIMETHYLTRYPTAMINE AND RELATED PSYCHEDELICS AND USES THEREOF PNMT, HTR5A, HNMT EIF4A3 3896/4885GABRA1 2436/4885GABRB2 2845/4885
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 EIF4A3 3171/4885GABRA1 3401/4885GABRB2 2269/4885
US-20240207267-A1 (R)-Glutarimide CRBN Ligands and Methods of Use CRBN, CDR2, CRKL EIF4A3 4395/4885GABRA1 563/4885GABRB2 275/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EIF4A3 3798/4885GABRA1 971/4885GABRB2 289/4885
US-20240067657-A1 AMIDO-SUBSTITUTED PYRIDYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES TLR7, MALT1, PNPO EIF4A3 782/4885GABRA1 3982/4885GABRB2 4176/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 EIF4A3 3506/4885GABRA1 1533/4885GABRB2 498/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 EIF4A3 3219/4885GABRA1 546/4885GABRB2 80/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 EIF4A3 1554/4885GABRA1 2605/4885GABRB2 1825/4885
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, TDP1 EIF4A3 2300/4885GABRA1 1342/4885GABRB2 544/4885
US-20110147655-A1 POLAR NEMATIC COMPOUNDS BCOR, LATS1, LATS2 EIF4A3 2113/4885GABRA1 1286/4885GABRB2 1313/4885
US-12030869-B2 5-membered heteroaryl carboxamide compounds for treatment of HBV HCCS, HAVCR2, MAVS EIF4A3 634/4885GABRA1 2672/4885GABRB2 1545/4885

“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.