SCHEMBL5318803

SCHEMBL5318803

CN(C)C(=O)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
ALDH1A1 P00352 1/20 0.50
KEAP1 Q14145 1/20 0.49
TACR1 P25103 2/20 0.43
BCAT2 O15382 1/20 0.42
ATR Q13535 1/20 0.40
CTSA P10619 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
PDK2 Q15119 1/20 0.38
RAB9A P51151 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
NPC1 O15118 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL30463435 0.85 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL6677412 0.85 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL20578422 0.84 MEN1 (0.96) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL5529270 0.80 KMT2A (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TACR1
SCHEMBL23169604 0.79 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL30892695 0.79 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL30603819 0.79 KMT2A (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL7445918 0.79 MEN1 (0.86) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1
SCHEMBL298628 0.78 HNF4A (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
Hydrogen Sulfide SCHEMBL28029146 0.77 MEN1 (0.83) MEN1KMT2ASMN1; SMN2ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US claimed
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
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 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-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 MEN1 4364/4885KMT2A 330/4885SMN1; SMN2 2387/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 MEN1 4364/4885KMT2A 330/4885SMN1; SMN2 2387/4885

“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.