SCHEMBL382703

SCHEMBL382703

COC(=O)c1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL14914125 0.89 SMPD1 (0.59) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL18152277 0.89 LMNA (0.51) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL1990848 0.87 SLC6A2 (0.57) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL3245222 0.87 SMPD1 (0.67) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL30882378 0.86 KMT2A (0.56) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL31371448 0.86 KMT2A (0.56) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL551475 0.86 FOLH1 (0.60) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL6949611 0.86 MAOB (0.59) SMPD1HDAC1HDAC8HDAC6LMNA
SCHEMBL27703695 0.85 MRGPRX4 (0.57) LMNAHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL1782909 0.84 HPGD (0.72) SMPD1HDAC1HDAC8HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050125-A1 SUBSTITUTED BENZOXAZOLYLAMINO BENZOXAZOLES IMMVENTION THERAPEUTIX (US) 2025-03-06 WO disclosed
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 EP disclosed
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP disclosed
US-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
EP-1630152-A1 CONDENSED RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-03-01 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 (5 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SMPD1 4879/4885HDAC1 308/4885HDAC8 266/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 SMPD1 2848/4885HDAC1 1652/4885HDAC8 2756/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SMPD1 4879/4885HDAC1 312/4885HDAC8 278/4885
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 SMPD1 154/4885HDAC1 341/4885HDAC8 2036/4885
US-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR SMPD1 4259/4885HDAC1 385/4885HDAC8 513/4885

“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.