SCHEMBL1980273

SCHEMBL1980273

O=C(O)c1cccc(CCCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ NR4A2 P43354 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ AKR1C3 P42330 1/20 0.53
▸ HDAC8 Q9BY41 2/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL16559877 0.96 FOLH1 (0.66) FOLH1NPC1RAB9ACASP3SENP8
SCHEMBL1817886 0.92 FOLH1 (0.66) FOLH1NR4A2KMT2AAKR1C3MRGPRX4
SCHEMBL30395109 0.92 FOLH1 (0.66) FOLH1NR4A2KMT2AAKR1C3MRGPRX4
SCHEMBL371526 0.88 FOLH1 (0.70) FOLH1NR4A2KMT2AMRGPRX4CYP2D6
SCHEMBL7394259 0.87 TDP1 (0.61) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5473039 0.87 CYP4F2 (0.62) FOLH1KMT2ACYP2D6CYP2C9HIF1A
SCHEMBL7556820 0.85 FOLH1 (0.58) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL31124111 0.85 FOLH1 (0.58) FOLH1SMN1; SMN2MRGPRX4
SCHEMBL22924729 0.85 FOLH1 (0.58) FOLH1NR4A2KMT2AMRGPRX4CYP2D6
SCHEMBL5280086 0.85 CYP4F2 (0.67) FOLH1KMT2ACYP2D6CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 — — US disclosed
EP-1233958-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2011-06-29 — — EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 — — EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 — — US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 — — EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 — — US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 — — EP disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 — — 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 FOLH1 781/4885NPC1 787/4885RAB9A 2615/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 FOLH1 781/4885NPC1 787/4885RAB9A 2615/4885

“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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