SCHEMBL169553

SCHEMBL169553

COC(=O)c1cc(Br)c(N)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.66
KDM4E B2RXH2 5/20 0.64
ACHE P22303 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
DRD1 P21728 1/20 0.56
PTGS1 P23219 1/20 0.56
DRD3 P35462 1/20 0.56
POLB P06746 2/20 0.50
HTR4 Q13639 3/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45

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
Hydrochloric Acid SCHEMBL7410965 0.98 GAA (0.64) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL856563 0.86 KDM4E (0.74) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL866041 0.86 LCK (0.59) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL29424850 0.85 GAA (0.74) GAAKDM4ECYP1A2CYP2D6POLB
SCHEMBL6473999 0.85 GAA (0.74) GAAKDM4ECYP1A2CYP2D6POLB
SCHEMBL3343357 0.84 ACHE (0.53) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL23459637 0.84 TDP1 (0.49) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL28362778 0.84 ACHE (0.48) GAAKDM4EACHECYP1A2CYP2D6
SCHEMBL11568484 0.84 KDM4E (0.76) GAAKDM4ECYP1A2CYP2D6POLB
SCHEMBL383036 0.84 GAA (0.53) GAAKDM4ECYP1A2CYP2D6POLB

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
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 US disclosed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
CN-102459231-B Quaternary ammonium salt compound TEIJIN PHARMA LTD 2015-04-22 CN disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US disclosed
EP-2035396-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-03-18 EP disclosed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 US disclosed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 US disclosed
WO-2007139967-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed
US-4914117-A ANTIDEPRESSANTS, CENTRAL NERVOUS SYSTEM ACTIVATORS; DOPAMINE ANTAGONISTS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLE DE L'ILE-D-FRANCE (FR) 1990-04-03 US disclosed
US-4835172-A Novel benzamides, intermediates and process for the preparation and therapeutic use thereof SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1989-05-30 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 (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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 GAA 1212/4885KDM4E 1276/4885ACHE 2122/4885
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections HSP90AB1, HSP90AB2P, HSP90B1 GAA 2466/4885KDM4E 2745/4885ACHE 4852/4885
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GAA 1052/4885KDM4E 3468/4885ACHE 4878/4885

“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.