Sugi Predict

Sugi Predict / Compounds / SCHEMBL977531

SCHEMBL977531

SCHEMBL977531

CCOC(=O)c1nc2c(s1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.52
▸ HDAC2 Q92769 1/20 0.41
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ PDCD1 Q15116 4/20 0.38
▸ CD274 Q9NZQ7 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PARP1 P09874 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
Hydrochloric Acid SCHEMBL978519 0.99 ADORA1 (0.53) ADORA1HDAC2SLC6A2SLC6A4SLC6A3
SCHEMBL12922693 0.80 PARP1 (0.53) PDK1ALDH1A1KDM4EGAAHPGD
SCHEMBL8005977 0.80 PARP1 (0.50) PDK1ALDH1A1KDM4EGAAHPGD
SCHEMBL3602432 0.77 HDAC2 (0.46) ADORA1HDAC2F2F10PDCD1
Bromide SCHEMBL8858759 0.77 RARA (0.50) ADORA1SLC6A2SLC6A4SLC6A3PDCD1
SCHEMBL30916131 0.77 HDAC2 (0.52) HDAC2F2F10PDCD1CD274
Hydrochloric Acid SCHEMBL3441376 0.76 HDAC2 (0.46) ADORA1HDAC2F2F10PDCD1
SCHEMBL3648757 0.76 HDAC2 (0.48) ADORA1HDAC2F2F10PDCD1
SCHEMBL1397402 0.74 PDK1 (0.48) PDK1ALDH1A1KDM4EGAAHPGD
SCHEMBL31389830 0.74 PDK1 (0.38) PDK1ALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600810-A Dihydrofuranopyridine derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-08-15 — — CN disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 — — US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 — — EP disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 — — US disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 — — 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 (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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ADORA1 4630/4885HDAC2 6/4885SLC6A2 4746/4885

“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.