SCHEMBL384872

SCHEMBL384872

COC(=O)c1cc(C(C)=O)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BRD4 O60885 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MTNR1A P48039 1/20 0.46

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
SCHEMBL13308876 0.91 MAOB (0.63) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL12659540 0.91 MAPT (0.53) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL24983869 0.90 LMNA (0.56) MAOBSMN1; SMN2LMNAHPGDBRD4
SCHEMBL31335836 0.89 MAOB (0.51) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL383297 0.89 LMNA (0.50) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL19326705 0.87 MAOB (0.60) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL21327288 0.86 LMNA (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6458759 0.85 MAOB (0.58) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL646463 0.84 ABCB1 (0.53) SMN1; SMN2TDP1L3MBTL1LMNAHPGD
SCHEMBL21327265 0.84 ALDH1A1 (0.56) CYP2C9CYP2C19SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
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-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP disclosed
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 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
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
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-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
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 (4 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-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE SDHA, LDHA, ALDH5A1 MAOB 1488/4885MAPT 1438/4885CYP2C9 454/4885
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MAOB 677/4885MAPT 1085/4885CYP2C9 581/4885
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 MAOB 3748/4885MAPT 4368/4885CYP2C9 3441/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 MAOB 665/4885MAPT 1118/4885CYP2C9 584/4885

“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.