SCHEMBL5339191

SCHEMBL5339191

COc1ccc(S(=O)(=O)Nc2ccc(CCCNC(=O)COCc3ccc(F)cc3)cn2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.43
SLC22A12 Q96S37 6/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6037982 0.88 HDAC1 (0.50) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL6037941 0.84 ALDH1A1 (0.49) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL6037946 0.84 SLC22A12 (0.44) HTTSLC22A12MEN1MAPK1KMT2A
SCHEMBL6038100 0.82 SMN1; SMN2 (0.52) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL5280811 0.82 ALDH1A1 (0.48) ALDH1A1HTTMEN1MAPK1KMT2A
SCHEMBL6037969 0.82 MTNR1A (0.47) ALDH1A1HTTMTNR1AMTNR1BMEN1
SCHEMBL6038071 0.81 ALDH1A1 (0.57) ALDH1A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL5291493 0.81 POLB (0.49) ALDH1A1MTNR1AMTNR1BMAPK1
SCHEMBL6038169 0.80 TSHR (0.49) ALDH1A1MEN1KMT2A
SCHEMBL5280023 0.80 FFAR1 (0.46) ALDH1A1MEN1MAPK1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (1 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885HTT 846/4885SLC22A12 4253/4885

“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.