SCHEMBL2865059

SCHEMBL2865059

CCc1c(O)cc(O)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1CCOC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 7/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SRD5A2 P31213 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2862066 0.83 LMNA (0.40) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2855790 0.80 MAPT (0.43) GAAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL4324522 0.73 MAPT (0.45) GAAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL2868754 0.72 NFKB1 (0.40) GAALMNAMAPTALDH1A1HTT
SCHEMBL2859684 0.70 GAA (0.40) GAALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4165870 0.69 NFKB1 (0.37) GAAMAPTALDH1A1HTTMAPK1
SCHEMBL28905348 0.69 MAPT (0.67) MAPTALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL2863759 0.68 HPGD (0.40) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL9735776 0.67 SRD5A2 (0.63) GAALMNAMAPTTDP1ALDH1A1
SCHEMBL2860094 0.67 SIGMAR1 (0.37) GAAMAPTSMN1; SMN2HTTTSHR

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 GAA 1593/4885LMNA 4283/4885MAPT 1791/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P GAA 1593/4885LMNA 4283/4885MAPT 1791/4885

“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.