SCHEMBL6520105

SCHEMBL6520105

O=C(O)COc1cc(Cl)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL6512399 0.93 SMN1; SMN2 (0.52) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL6521727 0.92 SMN1; SMN2 (0.51) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL6518625 0.92 MAPT (0.54) MAPTSMN1; SMN2HTTPOLBTDP1
SCHEMBL6515719 0.92 MAPT (0.42) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL6513592 0.92 MAPT (0.57) MAPTSMN1; SMN2HTTPOLBTDP1
SCHEMBL6521776 0.89 THRB (0.50) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6859231 0.89 THRB (0.43) MAPTSMN1; SMN2HTTPOLBTDP1
SCHEMBL6520252 0.88 MAPT (0.49) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL6512492 0.88 MAPT (0.47) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL6512566 0.86 THRA (0.52) MAPTSMN1; SMN2HTTHDAC3HDAC4

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 MAPT 839/4885SMN1; SMN2 4749/4885HTT 399/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885SMN1; SMN2 4875/4885HTT 1524/4885

“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.