SCHEMBL4979658

SCHEMBL4979658

CC(=O)Nc1cc(C(=O)Nc2ccccc2N)ccc1CNc1nc2ccccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE11A Q9HCR9 1/20 0.47
PDE10A Q9Y233 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
HDAC1 Q13547 7/20 0.46
HPGD P15428 2/20 0.45
GFER P55789 1/20 0.45
HDAC2 Q92769 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL5527481 0.89 SMN1; SMN2 (0.56) PDE11APDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL4973198 0.84 HDAC1 (0.45) PDE11APDE10ANPC1RAB9AHDAC1
SCHEMBL4970218 0.84 HDAC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL4980057 0.83 HDAC1 (0.62) PDE11APDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL4981752 0.83 HDAC2 (0.43) PDE11APDE10ANPC1RAB9AHDAC1
SCHEMBL4981319 0.82 HDAC2 (0.42) PDE11APDE10ANPC1RAB9AHDAC1
SCHEMBL3534129 0.78 HDAC1 (0.58) NPC1ALDH1A1HDAC1HDAC2MEN1
SCHEMBL8230897 0.76 HDAC1 (0.52) HDAC1HDAC2MEN1MAPK1KMT2A
SCHEMBL9910547 0.76 PDE11A (0.58) PDE11APDE10ANPC1RAB9ASMN1; SMN2
SCHEMBL4983837 0.76 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HDAC1

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-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US claimed
EP-1976835-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-10-08 EP disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 US disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 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-20070173527-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 PDE11A 2878/4885PDE10A 2845/4885NPC1 1565/4885

“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.