SCHEMBL978809

SCHEMBL978809

COc1ccc(NC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.73
NPC1 O15118 9/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
MAPT P10636 6/20 0.73
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 3/20 0.71
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
POLB P06746 1/20 0.64
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64
LMNA P02545 1/20 0.63
THRB P10828 1/20 0.63
CYP2C9 P11712 1/20 0.63

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
SCHEMBL978808 1.00 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL9613720 0.88 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL9613726 0.88 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL8784838 0.88 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL3496332 0.88 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL3496338 0.88 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL5524662 0.87 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7556196 0.85 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7071559 0.84 LMNA (0.76) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL7162798 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTMAPK1

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 7 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
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 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 (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 RAB9A 1395/4885NPC1 2881/4885SMN1; SMN2 4506/4885

“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.