SCHEMBL2863769

SCHEMBL2863769

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)c(OC)c2)c1CC(=O)N1CCN(c2cccc(O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GFER P55789 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2864929 0.92 MEN1 (0.52) ABCB1SMN1; SMN2LMNAGAAHTT
SCHEMBL2864940 0.84 MAPT (0.48) LMNAKMT2AGFERMAPTALDH1A1
SCHEMBL15225754 0.81 MAPK1 (0.50) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL2869162 0.80 ME2 (0.53) LMNAGAAHTTMEN1KMT2A
SCHEMBL27634767 0.79 ABCB1 (0.40) ABCB1SMN1; SMN2LMNAGAAHTT
SCHEMBL2861836 0.77 HTT (0.47) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL2859112 0.75 TSHR (0.51) SMN1; SMN2GAAHTTMEN1KMT2A
SCHEMBL2860161 0.74 CYP1A2 (0.50) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL2859704 0.74 SLC6A7 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2858385 0.73 MAPT (0.55) SMN1; SMN2GAAMEN1KMT2AGFER

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 7 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 claimed
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 ABCB1 176/4885SMN1; SMN2 4682/4885LMNA 4283/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ABCB1 176/4885SMN1; SMN2 4682/4885LMNA 4283/4885

“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.