SCHEMBL6707948

SCHEMBL6707948

COC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)nc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
NR1H4 Q96RI1 1/20 0.47
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
TNKS O95271 1/20 0.41
APP P05067 3/20 0.41
PTPN1 P18031 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SDHB P21912 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6707978 0.86 HDAC6 (0.49) HDAC6FFAR1
SCHEMBL6709258 0.82 FFAR1 (0.56) HDAC6TP53POLBTHRBTNKS
SCHEMBL6485304 0.82 TNKS (0.57) HDAC6TP53POLBTHRBTNKS
SCHEMBL2340659 0.78 CA12 (0.53) NR1H4PTPN1KDM4EALDH1A1LMNA
SCHEMBL981462 0.77 CYP19A1 (0.64) HDAC6TNKSMAPTSMN1; SMN2KDM4E
SCHEMBL23796279 0.76 NR1H4 (0.54) NR1H4TP53PTPN1MAPTRAB9A
SCHEMBL6709151 0.76 RAB9A (0.54) HDAC6TP53POLBTHRBTNKS
SCHEMBL979282 0.76 APP (0.58) HDAC6TP53THRBTNKSAPP
SCHEMBL980266 0.76 TNKS (0.56) HDAC6TP53POLBTHRBTNKS
SCHEMBL1317978 0.75 MAPK1 (0.59) PTPN1MAPTRAB9AKDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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 (2 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-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 HDAC6 3173/4885NR1H4 3962/4885TP53 3395/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 HDAC6 179/4885NR1H4 16/4885TP53 3318/4885

“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.