SCHEMBL3378823

SCHEMBL3378823

O=CCCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ FFAR1 O14842 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ HIF1A Q16665 1/20 0.70
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MAPT P10636 4/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ GSK3B P49841 1/20 0.56
▸ ERCC5 P28715 1/20 0.53
▸ FEN1 P39748 1/20 0.53
▸ HAO1 Q9UJM8 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ NR4A2 P43354 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ USP2 O75604 1/20 0.51

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
SCHEMBL276676 0.88 NR4A2 (0.65) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
SCHEMBL19043116 0.86 HDAC8 (0.63) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
SCHEMBL27871457 0.84 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
Fenbufen SCHEMBL11329267 0.82 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
Fenbufen SCHEMBL25117 0.82 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
SCHEMBL8534233 0.82 SMN1; SMN2 (0.84) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
Fenbufen SCHEMBL11393779 0.81 SMN1; SMN2 (0.96) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
SCHEMBL7590043 0.81 SMN1; SMN2 (0.63) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2
SCHEMBL19043378 0.81 MMP1 (0.60) SMN1; SMN2RAB9ALMNAFFAR1L3MBTL1
Biphenyl SCHEMBL28382562 0.80 FFAR1 (0.57) SMN1; SMN2RAB9ALMNAFFAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605316-A Beta-aromatic heterocyclic-gamma-trifluoromethyl amine compound and synthesis method thereof 中山大学 2022-06-10 — — CN claimed
CN-114605316-A Beta-aromatic heterocyclic-gamma-trifluoromethyl amine compound and synthesis method thereof 中山大学 2022-06-10 — — CN disclosed
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 — — EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 — — US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 — — US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 — — US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 — — US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 — — EP disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 — — EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 — — EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 — — WO disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 — — US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 — — 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 (2 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 SMN1; SMN2 3671/4885RAB9A 2909/4885LMNA 1922/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 SMN1; SMN2 3671/4885RAB9A 2909/4885LMNA 1922/4885

“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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