SCHEMBL5224142

SCHEMBL5224142

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
ALDH1A1 P00352 2/20 0.60
PPARG P37231 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
METAP1 P53582 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
SCHEMBL3786249 0.85 SMN1; SMN2 (0.45) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3791523 0.84 SMN1; SMN2 (0.47) POLBALDH1A1PPARGNPSR1NCOA1
SCHEMBL2733475 0.82 SMN1; SMN2 (0.42) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6076256 0.81 SMN1; SMN2 (0.41) POLBALDH1A1NPC1RAB9AKMT2A
SCHEMBL2880191 0.80 LMNA (0.54) POLBALDH1A1NPC1RAB9AKMT2A
SCHEMBL5223801 0.78 MAPT (0.45) POLBALDH1A1NPSR1MITFKMT2A
SCHEMBL5222427 0.78 HDAC1 (0.53) ALDH1A1PPARGNPSR1NCOA1NCOA3
SCHEMBL5227369 0.78 NPC1 (0.64) ALDH1A1PPARGNPC1RAB9AMITF
SCHEMBL22531738 0.78 ALDH1A1 (0.50) POLBALDH1A1PPARGNPSR1NCOA1
SCHEMBL5225270 0.77 NPSR1 (0.46) POLBALDH1A1NPSR1KMT2AMEN1

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
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
CN-1662236-A Inhibitors of histone deacetylase ASTRAZENECA AB (SE) 2005-08-31 CN 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 POLB 478/4885ALDH1A1 579/4885PPARG 1081/4885

“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.