SCHEMBL16669729

SCHEMBL16669729

N/C(=N/O)c1cc2ccc(N3CCN(C(=O)O)CC3)cc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.57
▸ MAPT P10636 3/20 0.47
▸ APP P05067 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL15065820 1.00 SLC16A3 (0.57) SLC16A3MAPTAPPHSD17B10ALDH1A1
SCHEMBL16674785 0.86 SLC16A3 (0.55) SLC16A3MAPTAPPHSD17B10ALDH1A1
SCHEMBL15086460 0.85 MAOB (0.49) SLC16A3MAPTALDH1A1KDM4ELMNA
SCHEMBL16669583 0.85 MAOB (0.49) SLC16A3MAPTALDH1A1KDM4ELMNA
SCHEMBL15066708 0.85 MAOB (0.49) SLC16A3MAPTALDH1A1KDM4ELMNA
SCHEMBL15066637 0.79 SLC16A3 (0.56) SLC16A3MAPTAPPHSD17B10ALDH1A1
SCHEMBL28868213 0.76 SLC16A3 (0.52) SLC16A3MAPTAPPALDH1A1KDM4E
SCHEMBL15138692 0.74 SLC16A3 (0.81) SLC16A3HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL18493220 0.74 SLC16A3 (0.81) SLC16A3HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4505056 0.74 SLC16A3 (0.75) SLC16A3MAPTAPPHSD17B10ALDH1A1

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 4 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 — — 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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 SLC16A3 4008/4885MAPT 1125/4885APP 1269/4885

“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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