SCHEMBL4396313

SCHEMBL4396313

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(Br)c1Cc1nn(CCO)c(=O)o1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAPK14 Q16539 2/20 0.37
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
NLRP3 Q96P20 2/20 0.36
PTGER1 P34995 2/20 0.36
KMO O15229 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
LIPC P11150 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4388215 0.90 FAAH (0.38) MAOBMAPK14FAAHMGLLNLRP3
SCHEMBL4388883 0.88 MAOB (0.37) MAOBMAPK14FAAHMGLLNLRP3
SCHEMBL4380922 0.82 FAAH (0.41) FAAHMGLLBCHELIPCACHE
SCHEMBL4386011 0.81 KDM4C (0.34) MAOBMAPK14FAAHMGLLPTGER1
SCHEMBL4380795 0.78 FAAH (0.38) MAOBMAPK14FAAHMGLLBCHE
SCHEMBL4385063 0.77 MAPK14 (0.39) MAOBMAPK14
SCHEMBL4384187 0.76 FAAH (0.36) MAOBFAAHMGLLNLRP3BCHE
SCHEMBL4387544 0.71 KDM4C (0.33) MAOBPTGER1TRPA1
SCHEMBL4396461 0.71 SLC26A3 (0.43) MAPK14PTGER1
SCHEMBL4379399 0.69 ALDH1A1 (0.44) MAPK14KDM4E

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 MAOB 3920/4885MAPK14 1693/4885FAAH 3872/4885

“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.