SCHEMBL382900

SCHEMBL382900

COc1ccc(CN2Cc3cc(Cl)c(OC)cc3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.64
ABCC1 P33527 4/20 0.64
ABCG2 Q9UNQ0 3/20 0.64
KMT2A Q03164 1/20 0.52
REV1 Q9UBZ9 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 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
SCHEMBL10383284 0.91 ABCB1 (0.74) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL12659937 0.85 ABCB1 (0.53) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL10383378 0.80 ABCB1 (0.57) ABCB1ABCC1ABCG2KMT2ASIGMAR1
SCHEMBL13662940 0.80 ABCB1 (0.61) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL24761817 0.80 ABCB1 (0.54) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL7136897 0.77 SIGMAR1 (0.64) KMT2ASIGMAR1SMN1; SMN2KDM4EHTR1A
SCHEMBL18797822 0.77 SIGMAR1 (0.53) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL3051745 0.76 REV1 (0.64) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL3059315 0.76 ABCB1 (0.77) ABCB1ABCC1ABCG2KMT2AREV1
SCHEMBL31727476 0.75 SIGMAR1 (0.54) ABCB1ABCC1ABCG2SIGMAR1SMN1; SMN2

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 51 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
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-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
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-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-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 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-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-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 (6 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 ABCB1 426/4885ABCC1 967/4885ABCG2 663/4885
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 ABCB1 2459/4885ABCC1 2382/4885ABCG2 3857/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ABCB1 436/4885ABCC1 974/4885ABCG2 669/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ABCB1 388/4885ABCC1 840/4885ABCG2 623/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 ABCB1 436/4885ABCC1 974/4885ABCG2 669/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S ABCB1 411/4885ABCC1 1480/4885ABCG2 973/4885

“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.