SCHEMBL1781249

SCHEMBL1781249

Cn1cc(CCOS(C)(=O)=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PDE8B O95263 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ CA1 P00915 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
SCHEMBL18256040 0.90 ALDH1A1 (0.42) KCNH2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8933354 0.85 MEN1 (0.36) KCNH2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL1445059 0.83 KDM4E (0.36) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14738317 0.83 KCNH2 (0.40) KCNH2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7456644 0.81 L3MBTL1 (0.42) KCNH2KMT2AALDH1A1KDM4EUSP2
SCHEMBL4505785 0.80 ACHE (0.36) MEN1KMT2AALDH1A1KDM4EUSP2
SCHEMBL7461767 0.78 PARG (0.36) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7459365 0.77 ACHE (0.40) KDM4E
SCHEMBL14860590 0.77 MEN1 (0.40) KCNH2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7460116 0.76 HCAR2 (0.44) MEN1KMT2AHSD17B10ALDH1A1KDM4E

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 — — EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 — — EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 — — US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 — — US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 — — US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 — — EP disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 — — US disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 — — WO disclosed
EP-0708102-B1 5-HT1F agonists for the treatment of migraine LILLY CO ELI (US) 2002-12-11 — — EP disclosed
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 — — EP disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 — — EP disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 — — WO disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 — — WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 — — EP disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 — — EP disclosed
US-5521196-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 — — US disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 — — US disclosed
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 — — EP disclosed
WO-1996011006-A1 5-HT1F MEDIATED INHIBITION OF NEUROGENIC MENINGEAL EXTRAVASATION ELI LILLY AND COMPANY (US) 1996-04-18 — — WO disclosed
EP-0705600-A1 Use of 5-HT1F-receptor agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-10 — — EP 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 KCNH2 2802/4885MEN1 1622/4885KMT2A 103/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 KCNH2 2802/4885MEN1 1622/4885KMT2A 103/4885

“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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