SCHEMBL5222544

SCHEMBL5222544

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
BACE1 P56817 2/20 0.48
MAPK8 P45983 1/20 0.47
PTPN11 Q06124 1/20 0.47
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 2/20 0.45
GPR119 Q8TDV5 3/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 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
SCHEMBL27601739 0.92 SMN1; SMN2 (0.47) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163027 0.90 HDAC3 (0.54) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163161 0.86 HDAC2 (0.55) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163019 0.86 HDAC3 (0.55) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20181717 0.85 HDAC3 (0.63) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163107 0.85 HDAC3 (0.57) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL20163098 0.84 HDAC3 (0.57) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL5222728 0.82 PTPN11 (0.56) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL5228683 0.81 HDAC1 (0.47) MEN1MAPTTSHRKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL30385951 0.81 MAPT (0.56) MEN1MAPTTSHRKMT2ASMN1; SMN2

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
EP-1501508-B1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2007-02-21 EP disclosed
US-20050222410-A1 Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1501508-A1 INHIBITORS OF HISTONE DEACETYLASE Astrazeneca AB (SE) 2005-02-02 EP disclosed
WO-2003092686-A1 INHIBITORS OF HISTONE DEACETYLASE ASTRAZENECA AB (SE) 2003-11-13 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-20050222410-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MEN1 3510/4885MAPT 3430/4885TSHR 1253/4885

“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.