SCHEMBL6512208

SCHEMBL6512208

CC(C)NCc1ccc2oc(C(=O)NO)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.49
MAOB P27338 5/20 0.49
TAS1R3 Q7RTX0 10/20 0.45
TAS1R1 Q7RTX1 10/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6510159 0.79 HDAC6 (0.52) TAS1R3TAS1R1LMNATP53NPC1
SCHEMBL6506293 0.77 HDAC1 (0.58) MAOBTP53NPC1RAB9AMEN1
SCHEMBL6506238 0.76 LMNA (0.46) LMNATP53NPC1RAB9AMEN1
SCHEMBL6512229 0.74 TP53 (0.40) TAS1R3TAS1R1LMNATP53RAB9A
SCHEMBL6510152 0.74 HDAC2 (0.52) LMNATP53NPC1RAB9AMEN1
SCHEMBL6514847 0.74 TP53 (0.40) TAS1R3TAS1R1LMNATP53NPC1
SCHEMBL6507649 0.74 HDAC1 (0.46) MAOBLMNATP53NPC1RAB9A
SCHEMBL6513479 0.73 ALDH1A1 (0.54) MAOAMAOBTP53NPC1RAB9A
SCHEMBL6510896 0.73 ROCK1 (0.50) LMNANPC1RAB9AKMT2AALDH1A1
SCHEMBL6511335 0.73 KMT2A (0.57) LMNATP53NPC1RAB9AMEN1

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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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 (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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 MAOA 1890/4885MAOB 1665/4885TAS1R3 4617/4885

“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.