SCHEMBL4810002

SCHEMBL4810002

O=C(CS)NN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
RAB9A P51151 1/20 0.60
MCOLN3 Q8TDD5 2/20 0.58
TSHR P16473 1/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56

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
SCHEMBL4811066 0.84 PKM (0.64) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL18134604 0.82 MCOLN3 (0.83) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL4810006 0.81 PKM (0.67) PKMMEN1KMT2AMCOLN3TSHR
SCHEMBL1662984 0.80 MAPT (0.58) PKMMEN1KMT2ARAB9ALMNA
SCHEMBL18711449 0.76 PKM (0.74) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL3169939 0.76 MCOLN3 (0.97) PKMMEN1KMT2AMCOLN3TSHR
SCHEMBL9950444 0.75 PKM (1.00) PKMMEN1KMT2ARAB9ALMNA
SCHEMBL14164272 0.75 ALDH1A1 (0.64) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL9951645 0.75 PKM (0.72) PKMMEN1KMT2ARAB9ALMNA
SCHEMBL12655865 0.75 MCOLN3 (0.71) PKMMEN1KMT2ARAB9AMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 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 (3 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-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 PKM 1811/4885MEN1 4364/4885KMT2A 330/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 PKM 1811/4885MEN1 4364/4885KMT2A 330/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 PKM 1811/4885MEN1 4364/4885KMT2A 330/4885

“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.