SCHEMBL2864922

SCHEMBL2864922

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B1 P14061 1/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2865094 0.83 PDK1 (0.49) GAAALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL2865471 0.76 CYP3A4 (0.45) GAAALDH1A1HTTLMNAMAPK1
SCHEMBL2858510 0.75 PTGS2 (0.43) GAAHTTCYP3A4
SCHEMBL2861272 0.75 MAPT (0.47) GAAALDH1A1HTTLMNAMAPK1
SCHEMBL8326064 0.74 GAA (1.00) GAAALDH1A1SMN1; SMN2HTTTHRB
SCHEMBL2865631 0.73 CYP3A4 (0.39) GAAALDH1A1HTTLMNAMAPK1
SCHEMBL2862959 0.72 PTGS2 (0.42) GAAALDH1A1HTTTSHRCYP3A4
SCHEMBL4093192 0.71 GAA (0.67) GAAALDH1A1SMN1; SMN2HTTTHRB
SCHEMBL2858867 0.70 NFKB1 (0.43) GAAALDH1A1HTTLMNAMAPK1
SCHEMBL30361464 0.69 NAMPT (0.72) L3MBTL1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P GAA 1593/4885ALDH1A1 2940/4885SMN1; SMN2 4682/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P GAA 1593/4885ALDH1A1 2940/4885SMN1; SMN2 4682/4885

“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.