SCHEMBL4381735

SCHEMBL4381735

COCOc1cc(CC(=O)OC)c(-c2ccc(CNCCCn3ccnc3)o2)c(OCOC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.40
QPCT Q16769 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4381665 0.83 LMNA (0.51) CD274ALDH1A1LMNAMEN1MAPK1
SCHEMBL4386807 0.82 QPCT (0.41) CD274QPCTALDH1A1LMNARAB9A
SCHEMBL4382486 0.77 MTNR1A (0.34) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL4379012 0.76 HDAC3 (0.34) ALDH1A1KDM4EGAAMAPTGLA
SCHEMBL6024743 0.75 GAA (0.41) CD274QPCTALDH1A1LMNARAB9A
SCHEMBL4386984 0.75 CYP3A4 (0.35) ALDH1A1KDM4EGAAPKMGLA
SCHEMBL4387636 0.74 ALDH1A1 (0.35) ALDH1A1RAB9AKDM4EGAAPKM
SCHEMBL4384303 0.74 SMN1; SMN2 (0.39) CD274ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4378177 0.72 ALDH1A1 (0.37) ALDH1A1LMNARAB9AKDM4EGAA
SCHEMBL5491747 0.72 HDAC3 (0.32) ALDH1A1KDM4EPKMMAPTHSD17B10

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 CD274 2969/4885QPCT 3214/4885ALDH1A1 3520/4885

“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.