SCHEMBL2732431

SCHEMBL2732431

CCC(=O)Nc1sc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ IKBKB O14920 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP2 O75604 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL2759478 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHSD17B10IKBKB
SCHEMBL2733186 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL3241760 0.74 RAF1 (0.58) —
SCHEMBL27502603 0.72 IKBKB (0.52) ALDH1A1MEN1KMT2AHSD17B10IKBKB
SCHEMBL3246252 0.71 IKBKB (0.46) ALDH1A1MEN1KMT2AIKBKBMAPK1
SCHEMBL13487575 0.67 RPS6KB1 (0.55) ALDH1A1KDM4ERAB9A
SCHEMBL10135139 0.66 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHSD17B10IKBKB
SCHEMBL5455703 0.66 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AHSD17B10IKBKB
SCHEMBL689916 0.65 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AIKBKBKDM4E
SCHEMBL3483031 0.65 GAA (0.66) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885MEN1 2386/4885KMT2A 68/4885

“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.

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