SCHEMBL382552

SCHEMBL382552

O=C(O)C1Cc2ccccc2CN1C(=O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.52
▸ POLB P06746 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NR1D1 P20393 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ AGTR2 P50052 1/20 0.43

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
SCHEMBL7532710 0.82 NR1D1 (0.55) ACEPOLBTDP1L3MBTL1NR1D1
SCHEMBL14747166 0.82 NR1D1 (0.63) ACENR1D1
SCHEMBL7532707 0.82 NR1D1 (0.55) ACEPOLBTDP1L3MBTL1NR1D1
SCHEMBL14747164 0.82 NR1D1 (0.63) ACENR1D1
SCHEMBL8495772 0.82 LMNA (0.61) ACEPOLBTDP1L3MBTL1LMNA
SCHEMBL4573235 0.80 ACE (0.61) ACEPOLBTDP1L3MBTL1LMNA
SCHEMBL3840630 0.80 ACE (0.61) ACEPOLBTDP1L3MBTL1LMNA
SCHEMBL8908771 0.80 ACE (0.61) ACEPOLBTDP1L3MBTL1LMNA
SCHEMBL27431289 0.79 SLC18A3 (0.47) ACEPOLBTDP1L3MBTL1NR1D1
SCHEMBL11350319 0.79 ACE (0.59) ACEPOLBTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073803-B1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LTD (GB) 2018-09-19 — — EP 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-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
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-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 — — US disclosed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 — — EP 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-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 — — WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY 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
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-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 ACE 4047/4885POLB 2448/4885TDP1 2575/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ACE 4063/4885POLB 2452/4885TDP1 2607/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ACE 4063/4885POLB 2452/4885TDP1 2607/4885

“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.

Send feedback