SCHEMBL4579841

SCHEMBL4579841

O=C(O)Nc1ccc(-c2cccs2)cc1NC(=O)C=Cc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
LMNA P02545 4/20 0.52
MAPK1 P28482 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC3 O15379 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL4578582 0.89 HDAC1 (0.59) RAB9ALMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4578590 0.89 HDAC1 (0.59) RAB9ALMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8230033 0.89 RAB9A (0.49) RAB9ALMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4579377 0.83 KCNH2 (0.47) RAB9ALMNASMN1; SMN2MAPTGAA
SCHEMBL2464648 0.81 HDAC2 (0.56) LMNASMN1; SMN2MAPTHDAC1HDAC2
SCHEMBL4579847 0.79 RAB9A (0.52) RAB9ALMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2468228 0.76 HDAC1 (0.47) LMNASMN1; SMN2ALDH1A1HDAC1HDAC2
SCHEMBL1063737 0.73 HDAC1 (0.75) HDAC1HDAC2HDAC3KCNH2
SCHEMBL14155872 0.73 HDAC3 (0.44) RAB9ALMNASMN1; SMN2ALDH1A1HDAC1
SCHEMBL4581049 0.73 DRD2 (0.48) LMNASMN1; SMN2ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 RAB9A 2909/4885LMNA 1922/4885MAPK1 1612/4885

“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.