SCHEMBL4580900

SCHEMBL4580900

CC(C)(C)[Si](OCc1ccc(-c2cccc(N(N)C(=O)O)c2)s1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 9/20 0.36
HSD17B1 P14061 8/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACACA Q13085 4/20 0.34
ALOX5 P09917 1/20 0.33
FFAR1 O14842 1/20 0.33
HPGDS O60760 1/20 0.33
NQO2 P16083 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL4580894 0.76 HDAC2 (0.44)
SCHEMBL14155908 0.73 HDAC2 (0.44)
SCHEMBL4580530 0.72 MAPT (0.36) HSD17B2HSD17B1
SCHEMBL31283785 0.71 LMNA (0.41) CYP3A4CYP2A6CYP2C9CYP2C19
SCHEMBL4578706 0.71 ABCB1 (0.39)
SCHEMBL4578712 0.71 ABCB1 (0.39)
SCHEMBL14155937 0.68 ABCB1 (0.37) ALOX5
SCHEMBL12889973 0.68 SMYD2 (0.33) CYP3A4
SCHEMBL6260193 0.68 SMYD2 (0.35) CYP3A4
SCHEMBL27831399 0.67 KMO (0.46)

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-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
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HSD17B2 1159/4885HSD17B1 772/4885CYP2E1 4369/4885

“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.