SCHEMBL3624299

SCHEMBL3624299

COc1ccccc1CNC(=O)c1c(O)cc(O)c(Cl)c1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.52
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 4/20 0.48
HTT P42858 3/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
HSP90B1 P14625 1/20 0.46
HDAC1 Q13547 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
SCHEMBL3622064 0.86 HSP90AA1 (0.52) HSP90AA1NPC1MEN1RAB9AKMT2A
SCHEMBL3621474 0.84 NPC1 (0.48) HSP90AA1NPC1RAB9AHTTKDM4E
SCHEMBL3611841 0.84 MMP13 (0.52) HSP90AA1RAB9AHPGDHTTKDM4E
SCHEMBL3619209 0.84 PLA2G1B (0.46) NPC1MEN1RAB9AKMT2AHPGD
SCHEMBL3619650 0.79 HSP90AA1 (0.63) HSP90AA1HSP90B1
SCHEMBL3613141 0.78 KMT2A (0.55) HSP90AA1NPC1RAB9AKMT2AHPGD
SCHEMBL6362312 0.72 HPGD (0.65) NPC1HPGDHTTKDM4EPPARG
SCHEMBL3619097 0.72 EGFR (0.48) NPC1MEN1RAB9AKMT2AHPGD
SCHEMBL3618927 0.70 NPC1 (0.43) NPC1RAB9AHTTKDM4EALDH1A1
SCHEMBL3624720 0.69 TSHR (0.48) HSP90AA1NPC1MEN1RAB9AKMT2A

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-7781485-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-24 US disclosed
US-20070265268-A1 Hsp90 Family protein Inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-15 US disclosed
EP-1813270-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-01 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-20070265268-A1 Hsp90 Family protein Inhibitors HSPA4L, HSP90AB1, HSP90B1 HSP90AA1 4/4885NPC1 1764/4885MEN1 4809/4885

“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.