SCHEMBL383146

SCHEMBL383146

C=C(C)c1cc(C(=O)N2Cc3cc(O)cc(C)c3C2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
MCL1 Q07820 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 5/20 0.39
MAOB P27338 1/20 0.38
TRAP1 Q12931 4/20 0.38
HSP90B1 P14625 3/20 0.38
HSP90AB1 P08238 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
RXRA P19793 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OXTR P30559 1/20 0.35

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
SCHEMBL383689 0.86 TRAP1 (0.46) SLC6A9HSP90AA1MAOBTRAP1HSP90B1
SCHEMBL383306 0.85 TRAP1 (0.47) SLC6A9HSP90AA1TRAP1HSP90B1HSP90AB1
SCHEMBL10269082 0.85 HSP90AA1 (0.36) SLC6A9CYP2C19HSP90AA1TRAP1HSP90B1
SCHEMBL10256331 0.84 TRAP1 (0.47) SLC6A9HSP90AA1MAOBTRAP1HSP90B1
SCHEMBL383682 0.83 TRAP1 (0.48) SLC6A9MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL383835 0.81 SLC6A9 (0.42) SLC6A9HSP90AA1
SCHEMBL14991809 0.80 SLC6A9 (0.41) SLC6A9HSP90AA1MAOBTRAP1HSP90B1
SCHEMBL14991248 0.80 SLC6A9 (0.41) SLC6A9HSP90AA1MAOBTRAP1HSP90B1
SCHEMBL14857065 0.80 SLC6A9 (0.41) SLC6A9SMN1; SMN2L3MBTL1HSP90AA1MAOB
SCHEMBL14857414 0.80 SLC6A9 (0.41) SLC6A9HSP90AA1TRAP1HSP90B1HSP90AB1

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 53 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
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-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-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044027-A2 PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO 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-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (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-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 (3 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 SLC6A9 3042/4885MCL1 2528/4885MAPT 1085/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SLC6A9 3031/4885MCL1 2540/4885MAPT 1118/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 SLC6A9 3031/4885MCL1 2540/4885MAPT 1118/4885

“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.