SCHEMBL657450

SCHEMBL657450

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 6/20 0.50
KDM4E B2RXH2 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 6/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
SMPD1 P17405 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 3/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL12939161 0.92 HPGD (0.48) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL656915 0.88 BRD4 (0.48) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL658114 0.87 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19638166 0.87 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL658368 0.87 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1578000 0.86 HPGD (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL2940881 0.86 HPGD (0.52) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL19766828 0.86 HPGD (0.53) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL2942190 0.85 MAPT (0.48) HPGDALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL658116 0.85 HPGD (0.51) HPGDALDH1A1HSD17B10KDM4ENPSR1

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 30 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
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-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-07-15 US disclosed
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-07-15 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
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 1996/4885HSD17B10 630/4885
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 3062/4885ALDH1A1 279/4885HSD17B10 1538/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2987/4885ALDH1A1 350/4885HSD17B10 1360/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2970/4885ALDH1A1 380/4885HSD17B10 1743/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2953/4885ALDH1A1 351/4885HSD17B10 1378/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P HPGD 2987/4885ALDH1A1 350/4885HSD17B10 1360/4885

“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.