SCHEMBL3344186

SCHEMBL3344186

S=c1[nH]cc(-c2cccc(Cl)c2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
GFER P55789 3/20 0.61
GAA P10253 2/20 0.61
IDO1 P14902 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
BRD4 O60885 1/20 0.46
NOTUM Q6P988 1/20 0.46
SCN2A Q99250 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MPI P34949 1/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPY5R Q15761 1/20 0.41
DHFR P00374 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
SCHEMBL639362 0.79 GFER (0.61) KDM4EGFERGAAIDO1HDAC8
SCHEMBL3341447 0.79 KDM4E (0.61) KDM4EGFERGAAIDO1HDAC8
SCHEMBL3341441 0.79 GFER (0.61) KDM4EGFERGAAIDO1HDAC8
SCHEMBL3342194 0.77 KDM4E (0.64) KDM4EGFERGAAIDO1HDAC8
SCHEMBL258911 0.77 GAA (1.00) KDM4EGFERGAAIDO1HDAC8
Hydrochloric Acid SCHEMBL3342876 0.75 GAA (0.96) KDM4EGFERGAAIDO1HDAC8
SCHEMBL638114 0.75 GFER (0.56) KDM4EGFERGAAIDO1HDAC8
SCHEMBL640473 0.75 GAA (0.56) KDM4EGFERGAAHDAC8ALDH1A1
SCHEMBL638903 0.75 KDM4E (0.61) KDM4EGFERGAAHDAC8ALDH1A1
SCHEMBL15568522 0.73 GFER (0.54) KDM4EGFERGAAHDAC8BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160401-A1 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND TREATMENT OR PREVENTION OF PIGMENTARY DISORDERS THEREWITH GALDERMA RESEARCH & DEVELOPMENT, BIOT, FRANCE 2010-06-24 US claimed
EP-2164486-A2 USE OF 4-PHENYL-IMIDAZOLE-2-THIONES AS TYROSINASE INHIBITORS FOR PREPARING PHARMACEUTICAL OR COSMETIC COMPOSITIONS FOR TREATING OR PREVENTING PIGMENT DISORDERS Galderma Research & Development (FR) 2010-03-24 EP claimed
WO-2008152330-A2 USE OF 4-PHENYL-IMIDAZOLE-2-THIONES AS TYROSINASE INHIBITORS FOR PREPARING PHARMACEUTICAL OR COSMETIC COMPOSITIONS FOR TREATING OR PREVENTING PIGMENT DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO claimed
EP-2885306-B1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2016-06-01 EP disclosed
EP-2885306-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
US-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
WO-2014026881-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO disclosed
US-20100160401-A1 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND TREATMENT OR PREVENTION OF PIGMENTARY DISORDERS THEREWITH GALDERMA RESEARCH & DEVELOPMENT, BIOT, FRANCE 2010-06-24 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 (2 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-20100160401-A1 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND TREATMENT OR PREVENTION OF PIGMENTARY DISORDERS THEREWITH TYR, TH, PAH KDM4E 1018/4885GFER 2509/4885GAA 58/4885
US-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives MAPT, SNCA, PARK7 KDM4E 4876/4885GFER 3102/4885GAA 588/4885

“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.