SCHEMBL638653

SCHEMBL638653

S=c1[nH]cc(-c2ccc(C3CCCCC3)cc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
GFER P55789 2/20 0.51
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
MCL1 Q07820 1/20 0.46
NOTUM Q6P988 3/20 0.39
GALR1 P47211 1/20 0.36
RAF1 P04049 1/20 0.36
S1PR1 P21453 1/20 0.35
HTR1D P28221 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL639462 0.98 KDM4E (0.53) KDM4EGAAGFERTDP1MAPT
SCHEMBL640257 0.84 GFER (0.49) KDM4EGAAGFERTDP1MAPT
SCHEMBL638661 0.82 GFER (0.50) KDM4EGAAGFERTDP1MAPT
SCHEMBL639698 0.80 GFER (0.51) KDM4EGAAGFERTDP1MAPT
SCHEMBL2246612 0.74 HDAC8 (0.35) KDM4EGAAGFERTDP1MAPT
SCHEMBL59138 0.72 NOTUM (0.55) KDM4EGAATDP1MAPTKMT2A
SCHEMBL2243279 0.72 GFER (0.38) KDM4EGAAGFERMAPTHDAC8
SCHEMBL2247757 0.72 HDAC8 (0.36) KDM4EGAAGFERHDAC8
SCHEMBL2250817 0.70 GFER (0.39) KDM4EGAAGFERMAPTHDAC8
SCHEMBL3344780 0.70 GAA (0.64) KDM4EGAAGFERMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119674-B2 4-phenylimidazole-2-thione tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-21 US claimed
US-20100144814-A1 NOVEL 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 US claimed
EP-2155693-A1 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY Galderma Research & Development (FR) 2010-02-24 EP claimed
WO-2008152331-A9 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-23 WO claimed
WO-2008152331-A1 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO claimed
US-8119674-B2 4-phenylimidazole-2-thione tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-21 US disclosed
US-20100144814-A1 NOVEL 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 US disclosed
EP-2155693-A1 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY Galderma Research & Development (FR) 2010-02-24 EP disclosed
WO-2008152331-A9 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-23 WO disclosed
WO-2008152331-A1 NOVEL 4-PHENYL-IMIDAZOLE-2-THIONES USED AS TYROSINASE INHIBITORS, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN MEDICINE AND COSMETOLOGY GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO 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 (1 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-20100144814-A1 NOVEL 4-PHENYLIMIDAZOLE-2-THIONE TYROSINASE INHIBITORS AND PHARMACEUTICAL/COSMETIC APPLICATIONS THEREOF TYR, TH, PAH KDM4E 582/4885GAA 115/4885GFER 2966/4885

“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.