SCHEMBL5226095

SCHEMBL5226095

O=C(O)c1ccc(N2CCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
PSMD14 O00487 1/20 0.46
MAPT P10636 1/20 0.46
DAO P14920 6/20 0.44
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.40
LIG1 P18858 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RORC P51449 1/20 0.39
PTGER1 P34995 1/20 0.39
HPGDS O60760 1/20 0.38
IP6K1 Q92551 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL5228374 0.98 KMT2A (0.49) ALDH1A1KMT2APSMD14MAPTDAO
SCHEMBL4554523 0.85 CHKA (0.41) ALDH1A1KMT2ADAOPOLBRAB9A
SCHEMBL4438126 0.84 DAO (0.44) ALDH1A1KMT2ADAOMEN1POLB
SCHEMBL7826262 0.83 ALDH1A1 (0.49) ALDH1A1KMT2APSMD14MAPTMEN1
SCHEMBL6274318 0.82 DAO (0.39) ALDH1A1KMT2ADAOMEN1POLB
SCHEMBL24573798 0.82 ALDH1A1 (0.44) ALDH1A1KMT2APSMD14MAPTMEN1
SCHEMBL17318746 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APSMD14MAPTMEN1
SCHEMBL4441335 0.80 CHRNA7 (0.45) ALDH1A1KMT2AMAPTDAOMEN1
SCHEMBL10649357 0.80 ALDH1A1 (0.41) ALDH1A1KMT2APSMD14MAPTMEN1
SCHEMBL7830634 0.77 ERCC5 (0.52) ALDH1A1KMT2APSMD14MAPTPOLB

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 ALDH1A1 579/4885KMT2A 95/4885PSMD14 1679/4885

“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.