SCHEMBL6516832

SCHEMBL6516832

O=C(O)CSc1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MAPT P10636 3/20 0.43
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6520663 0.92 MAPT (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6514085 0.92 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515511 0.92 IMPDH2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6516357 0.92 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6524642 0.92 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6524721 0.89 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512599 0.89 MAPT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515733 0.89 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6517156 0.86 THRA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512816 0.85 THRB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 HDAC3 618/4885HDAC4 2051/4885HDAC1 2244/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP HDAC3 628/4885HDAC4 788/4885HDAC1 1964/4885

“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.