SCHEMBL4560573

SCHEMBL4560573

CCC(=O)N(c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
ALOX5 P09917 1/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRL1 P41146 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
GLA P06280 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
SCHEMBL4561031 0.87 TP53 (0.54) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL4558972 0.85 LMNA (0.47) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL4558955 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL12821356 0.84 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNATP53APAF1
SCHEMBL22406302 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNATP53APAF1
SCHEMBL8922653 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNATP53APAF1
SCHEMBL5696562 0.82 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNATP53ALOX5
SCHEMBL27599780 0.81 LMNA (0.46) ALDH1A1SMN1; SMN2LMNATP53APAF1
SCHEMBL4674910 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNATP53APAF1
SCHEMBL26029270 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNATP53APAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 532/4885SMN1; SMN2 3638/4885LMNA 424/4885

“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.