SCHEMBL6524664

SCHEMBL6524664

N[C@@H](Cc1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(Br)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
THRB P10828 10/20 0.45
THRA P10827 8/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PPARG P37231 2/20 0.43

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
SCHEMBL6512397 1.00 KMT2A (0.48) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6519331 0.93 THRB (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6512382 0.93 THRB (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6520657 0.92 MAPT (0.53) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6860814 0.92 LMNA (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6516565 0.92 MAPT (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6513219 0.92 MAPT (0.51) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6518581 0.92 LMNA (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6524638 0.92 MAPT (0.51) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL6512945 0.92 MAPT (0.46) KMT2AMEN1HSP90AA1HSP90AB1LTA4H

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 KMT2A 1586/4885MEN1 1753/4885HSP90AA1 4021/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KMT2A 3869/4885MEN1 2116/4885HSP90AA1 4234/4885

“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.