SCHEMBL658116

SCHEMBL658116

CCNC(=O)c1cc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
HSP90AB1 P08238 5/20 0.48
HSP90AA1 P07900 3/20 0.48
SMPD1 P17405 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.44
BRD4 O60885 2/20 0.44

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
SCHEMBL14118655 0.88 HSP90AB1 (0.65) HSP90AB1HSP90AA1
SCHEMBL19638166 0.88 HPGD (0.53) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL658114 0.88 HPGD (0.53) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL658368 0.88 HPGD (0.53) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL659699 0.87 HPGD (0.48) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL656781 0.87 BRD4 (0.49) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL2353868 0.87 HSP90AB1 (0.49) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL1578000 0.87 HPGD (0.52) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL2940881 0.87 HPGD (0.52) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL19766828 0.87 HPGD (0.53) HPGDALDH1A1KDM4EHSD17B10NPSR1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
CN-118812453-B Histone deacetylase 6 inhibitor, preparation thereof and application thereof in treating ischemic stroke 浙江大学 2025-04-01 CN disclosed
CN-118812453-A Histone deacetylase 6 inhibitor, preparation thereof and application thereof in treating ischemic stroke 浙江大学 2024-10-22 CN disclosed
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
WO-2010000748-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDES MODULATING HSP90 WITH ANTITUMORAL ACTIVITIES SIGMA-TAU RESEARCH SWITZERLAND S.A. (CH) 2010-01-07 WO disclosed
US-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS DEVELOPMENT LIMITED (GB) 2006-10-26 US disclosed
EP-1611112-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS Vernalis (Cambridge) Limited (GB) 2006-01-04 EP disclosed
WO-2004072051-A1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-08-26 WO 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 (6 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HPGD 589/4885ALDH1A1 1996/4885KDM4E 3420/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2987/4885ALDH1A1 350/4885KDM4E 4387/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2970/4885ALDH1A1 380/4885KDM4E 4409/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2953/4885ALDH1A1 351/4885KDM4E 4387/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2987/4885ALDH1A1 350/4885KDM4E 4387/4885
US-20090076006-A1 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY HSP90AB1, HSP90AB2P, HSP90B1 HPGD 529/4885ALDH1A1 1920/4885KDM4E 1975/4885

“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.