SCHEMBL980111

SCHEMBL980111

Nc1ccccc1C(=O)Nc1nc2c(s1)CNCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ TP53 P04637 4/20 0.52
▸ HDAC2 Q92769 1/20 0.48
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 3/20 0.43
▸ CHKA P35790 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MET P08581 1/20 0.41

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
SCHEMBL4242058 0.82 MAPT (0.43) MAPTTP53HDAC2NPC1RAB9A
SCHEMBL4242055 0.78 MAPT (0.42) MAPTTP53HDAC2NPC1RAB9A
SCHEMBL15012213 0.77 CHKA (0.45) MAPTTP53HDAC2NPC1RAB9A
SCHEMBL978554 0.77 HDAC2 (0.69) HDAC2
SCHEMBL17613240 0.75 NPC1 (0.48) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL330155 0.74 TSHR (0.46) HDAC2NPC1RAB9ASMN1; SMN2CHKA
Hydrochloric Acid SCHEMBL20764968 0.73 TSHR (0.44) HDAC2NPC1RAB9ASMN1; SMN2CHKA
SCHEMBL26884200 0.73 RAB9A (0.44) MAPTTP53HDAC2NPC1RAB9A
SCHEMBL12307415 0.72 TSHR (0.43) MAPTTP53HDAC2NPC1RAB9A
SCHEMBL31214257 0.72 POLQ (0.61) ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 — — EP 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 MAPT 2144/4885TP53 2132/4885HDAC2 6/4885

“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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