SCHEMBL5229725

SCHEMBL5229725

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
AHR P35869 1/20 0.45
KMT2A Q03164 1/20 0.45
METAP1 P53582 1/20 0.44
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
BACE1 P56817 1/20 0.42
NR4A1 P22736 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR2 Q92731 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
TRPA1 O75762 1/20 0.41
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL14885229 0.84 MEN1 (0.57) MEN1AHRKMT2AMETAP1POLB
SCHEMBL29768539 0.84 P4HTM (0.53) MEN1AHRKMT2AMETAP1LMNA
SCHEMBL3716281 0.84 P4HTM (0.53) MEN1AHRKMT2AMETAP1LMNA
SCHEMBL5227380 0.83 SMN1; SMN2 (0.47) MEN1AHRKMT2AMETAP1SMN1; SMN2
SCHEMBL2385252 0.82 MEN1 (0.55) MEN1AHRKMT2AMETAP1LMNA
SCHEMBL2384644 0.82 HDAC1 (0.47) MEN1AHRKMT2AMETAP1RXFP1
SCHEMBL2829994 0.81 F10 (0.51) MEN1KMT2APOLBTDP1LMNA
SCHEMBL22874342 0.80 JUN (0.46) MEN1AHRKMT2AMETAP1POLB
SCHEMBL22874499 0.80 P4HTM (0.65) MEN1AHRKMT2AKDM4ERAB9A
SCHEMBL3232099 0.80 METAP1 (0.43) MEN1AHRKMT2AMETAP1SMN1; 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 3510/4885AHR 809/4885KMT2A 95/4885

“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.