SCHEMBL6512792

SCHEMBL6512792

N[C@@H](C(=O)O)c1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 4/20 0.43
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LTA4H P09960 1/20 0.37
PLA2G2A P14555 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
SCHEMBL6515164 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512798 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6511419 0.92 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515470 0.92 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512365 0.92 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512173 0.92 MAPT (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6519188 0.92 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6512879 0.92 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6515475 0.92 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6522323 0.92 SMN1; SMN2 (0.48) 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 3 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
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 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-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.