SCHEMBL696137

SCHEMBL696137

CCOC(=O)Cc1nc(C)cs1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2844080 0.85 MEN1 (0.50) MEN1KMT2AMAPTHTTPKM
SCHEMBL13208839 0.84 HSD17B10 (0.45) MEN1MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL25309164 0.83 MEN1 (0.49) MEN1KMT2AMAPTHTTPKM
SCHEMBL18722146 0.83 MEN1 (0.56) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL11199790 0.83 MEN1 (0.49) MEN1KMT2AMAPTHTTPKM
SCHEMBL2654211 0.83 KMT2A (0.49) MEN1KMT2AMAPTHTTPKM
SCHEMBL9481311 0.82 MEN1 (0.48) MEN1KMT2AMAPTHTTPKM
SCHEMBL1398189 0.82 ADAMTS5 (0.43) MAPTSMN1; SMN2ALDH1A1
SCHEMBL2657920 0.81 MEN1 (0.54) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL24676677 0.80 POLB (0.46) MEN1KMT2AMAPTHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
EP-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 US disclosed
EP-2797592-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC Therapeutics, Inc. (US) 2014-11-05 EP disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
WO-2013101974-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
WO-2003018546-A2 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-03-06 WO disclosed
US-3966945-A 2-Alkoxy(and 2-alkoxyalkyl)-2-heterocyclic-thioacetamides for inhibiting gastric acid secretion SMITHKLINE CORPORATION (US) 1976-06-29 US disclosed
US-3956494-A ANTISECRETORY AGENTS, HETEROCYCLIC THIOPROPIONAMIDES SMITHKLINE CORPORATION (US) 1976-05-11 US disclosed
US-3948892-A 2-Alkoxy(and 2-amino)-3-amino-2-heterocyclic-thiopropanamides SMITHKLINE CORPORATION (US) 1976-04-06 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 (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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 MEN1 3211/4885KMT2A 413/4885MAPT 1125/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MEN1 2996/4885KMT2A 3959/4885MAPT 3036/4885

“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.