SCHEMBL4532013

SCHEMBL4532013

CC(C)(C)c1ccc(SC(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
ADAM17 P78536 2/20 0.56
PKM P14618 2/20 0.54
PAX8 Q06710 1/20 0.52
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
EPHX1 P07099 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CNR1 P21554 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL4538238 0.86 LMNA (0.54) LMNAADAM17PKMPAX8MAPT
SCHEMBL2846675 0.85 LMNA (0.72) LMNAADAM17PKMPAX8MAPT
SCHEMBL8119311 0.84 LMNA (0.62) LMNAADAM17PKMPAX8MAPT
SCHEMBL27798461 0.82 LMNA (0.60) LMNAADAM17PKMPAX8MAPT
SCHEMBL2841080 0.82 LMNA (0.59) LMNAADAM17PKMPAX8MAPT
SCHEMBL4538592 0.81 LMNA (0.58) LMNAADAM17PKMPAX8MAPT
SCHEMBL4534294 0.80 ADAM17 (0.66) LMNAADAM17PKMPAX8MAPT
SCHEMBL4532894 0.79 MAPT (0.80) LMNAADAM17PKMPAX8MAPT
SCHEMBL27777212 0.78 LMNA (0.58) LMNAADAM17PKMPAX8MAPT
SCHEMBL4536275 0.77 LMNA (0.54) LMNAADAM17PKMPAX8MAPT

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 7 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-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
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
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 LMNA 424/4885ADAM17 1164/4885PKM 457/4885

“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.