SCHEMBL976683

SCHEMBL976683

CC(C)c1ccc(NC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HCAR3 P49019 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MYOC Q99972 1/20 0.49
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 1/20 0.45
KCNMA1 Q12791 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRHBP P24387 1/20 0.45

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
SCHEMBL976680 1.00 KMT2A (0.56) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL978801 0.88 MAPT (0.61) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL2556912 0.83 MEN1 (0.49) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL979265 0.81 MEN1 (0.47) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL14410276 0.81 HCAR3 (0.55) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL1704376 0.81 ALDH1A1 (0.71) KMT2AALDH1A1MAPTNPC1MAPK1
SCHEMBL9196220 0.77 MAPT (0.58) KMT2AMEN1HCAR3ALDH1A1MAPT
SCHEMBL16235764 0.76 APP (0.69) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL6611147 0.76 HCAR3 (0.52) KMT2AHCAR3ALDH1A1MAPTNPSR1
SCHEMBL1066623 0.76 MAPK1 (0.58) KMT2AMEN1HCAR3ALDH1A1MAPT

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 KMT2A 86/4885MEN1 3674/4885HCAR3 1100/4885

“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.