SCHEMBL383025

SCHEMBL383025

C/C=C(/C)c1cc(C(=O)OC)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
PPIA P62937 1/20 0.47
MTNR1A P48039 1/20 0.47

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
SCHEMBL8641451 0.90 HPGD (0.57) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL551475 0.88 FOLH1 (0.60) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL383170 0.88 FOLH1 (0.53) KDM4EL3MBTL1FOLH1ALDH1A1POLB
SCHEMBL383169 0.88 FOLH1 (0.53) KDM4EL3MBTL1FOLH1ALDH1A1POLB
SCHEMBL383168 0.88 FOLH1 (0.53) KDM4EL3MBTL1FOLH1ALDH1A1POLB
SCHEMBL551533 0.86 PARP1 (0.57) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL6687841 0.85 SMPD1 (0.65) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL131382 0.84 MAOB (0.55) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL3245222 0.84 SMPD1 (0.67) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL6539001 0.84 HPGD (0.53) HPGDLMNASMPD1HDAC1HDAC8

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
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
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 CHESSARI GIANNI 2010-08-26 US disclosed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US disclosed
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US disclosed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 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
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US 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 (10 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P HPGD 45/4885LMNA 4240/4885SMPD1 4414/4885
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 437/4885LMNA 4532/4885SMPD1 4879/4885
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 HPGD 739/4885LMNA 4717/4885SMPD1 4831/4885
US-20100216782-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 459/4885LMNA 4208/4885SMPD1 4875/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 HPGD 2657/4885LMNA 3012/4885SMPD1 3236/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P HPGD 700/4885LMNA 3688/4885SMPD1 4843/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 470/4885LMNA 4513/4885SMPD1 4879/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HPGD 430/4885LMNA 4544/4885SMPD1 4879/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S HPGD 3886/4885LMNA 92/4885SMPD1 1444/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 HPGD 803/4885LMNA 3538/4885SMPD1 4843/4885

“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.