SCHEMBL4068959

SCHEMBL4068959

Cc1ccc(Sc2csc3ccccc23)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.44
TP53 P04637 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KDM4E B2RXH2 4/20 0.42
RXFP1 Q9HBX9 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL4059097 0.86 HDAC3 (0.43) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL4060386 0.86 SLC6A2 (0.51) TP53HDAC3HDAC4HDAC1HDAC7
SCHEMBL4064890 0.83 POLB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4437794 0.79 KDM4E (0.61) CSNK2A1ALDH1A1KDM4ERXFP1POLB
SCHEMBL11704293 0.76 SIRT1 (0.50) CSNK2A1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4059186 0.76 MAOB (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4618325 0.75 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ERXFP1SMN1; SMN2
SCHEMBL1801896 0.73 CYP2A6 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4058371 0.73 MAPT (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL4068845 0.73 MAPT (0.51) TP53ALDH1A1MAPTKDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 US disclosed
EP-1893596-A2 BENZOÝB¨FURANE AND BENZOÝB¨THIOPHENE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2007023395-A2 BENZO[B]FURANE AND BENZO[B]THIOPHENE DERIVATIVES H. LUNDBECK A/S (US) 2007-03-01 WO disclosed
US-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2006-12-21 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 (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-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives CYP1B1, TBCB, CYP4B1 CSNK2A1 773/4885TP53 1845/4885HDAC3 2994/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 CSNK2A1 773/4885TP53 1845/4885HDAC3 2994/4885

“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.