SCHEMBL4385063

SCHEMBL4385063

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(Br)c1Cc1n[nH]c(=O)o1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
SLC22A12 Q96S37 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
MAOB P27338 2/20 0.36

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
SCHEMBL4384028 0.88 NOTUM (0.42) MAPK14SLC22A12NOTUMNPC1RAB9A
SCHEMBL4396313 0.77 MAOB (0.38) MAPK14MAOB
SCHEMBL4388215 0.77 FAAH (0.38) MAPK14MAOB
SCHEMBL4396461 0.73 SLC26A3 (0.43) MAPK14SLC22A12NPC1RAB9A
SCHEMBL4386765 0.71 SMPD1 (0.44) MAPK14NPC1RAB9AL3MBTL1
SCHEMBL4379399 0.70 ALDH1A1 (0.44) MAPK14NPC1RAB9A
SCHEMBL4389290 0.69 MAPK14 (0.39) MAPK14RAB9AL3MBTL1MAOB
SCHEMBL4388883 0.67 MAOB (0.37) MAPK14MAOB
SCHEMBL4380795 0.66 FAAH (0.38) MAPK14MAOB
SCHEMBL29125978 0.66 NOTUM (0.54) NOTUMNPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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 (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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P MAPK14 1693/4885SLC22A12 1903/4885NOTUM 2617/4885

“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.