SCHEMBL424398

SCHEMBL424398

CCCCCNc1cc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH3 Q9ULD8 1/20 0.42
ELANE P08246 2/20 0.42
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 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
SCHEMBL9826458 0.95 HDAC3 (0.52) HDAC3MAOBMAOACYP1A2CYP3A4
SCHEMBL9826049 0.88 MAOB (0.51) HDAC3MAOBMAOAELANECYP2D6
SCHEMBL140394 0.81 NPC1 (0.51) HDAC3MAOBMAOACYP2D6HIF1A
Hydrochloric Acid SCHEMBL9826526 0.80 NPC1 (0.50) HDAC3MAOBMAOACYP2D6HIF1A
SCHEMBL5383838 0.78 LOXL2 (0.42) MAOBMAOACYP2D6HIF1ATAS1R3
SCHEMBL8158782 0.78 RECQL (0.46) MAOBCYP2D6HIF1ATAS1R3TAS1R1
SCHEMBL20545219 0.76 CYP2D6 (0.47) HDAC3MAOBMAOACYP2D6HIF1A
SCHEMBL9130455 0.76 NPC1 (0.53) MAOBCXCR1CXCR2NPC1MAPT
SCHEMBL19187891 0.75 CA12 (0.41) HDAC3MAOANPC1RAB9AALDH1A1
SCHEMBL1081207 0.75 HDAC3 (0.43) HDAC3MAOBMAOATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
EP-2332909-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2014-10-15 EP disclosed
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US disclosed
EP-1877379-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2013-01-16 EP disclosed
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2012-10-04 US disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-8101648-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS, LTD. (GB) 2012-01-24 US disclosed
EP-2332909-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 Astex Therapeutics Limited (GB) 2011-06-15 EP disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 EP 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 HDAC3 639/4885MAOB 677/4885MAOA 1335/4885
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 HDAC3 2297/4885MAOB 3748/4885MAOA 3010/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HDAC3 644/4885MAOB 665/4885MAOA 1325/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P HDAC3 417/4885MAOB 713/4885MAOA 930/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HDAC3 560/4885MAOB 751/4885MAOA 1451/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HDAC3 644/4885MAOB 665/4885MAOA 1325/4885
US-20120251545-A1 Therapeutic Combinations Of Hydroxybenzamide Derivatives As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HDAC3 45/4885MAOB 1717/4885MAOA 2568/4885

“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.