SCHEMBL976255

SCHEMBL976255

CCOC(=O)c1cc2c(n1C)CCN(S(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
CD4 P01730 4/20 0.46
LMNA P02545 5/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL975529 0.85 AKR1C3 (0.49) KMT2AALDH1A1CD4KDM4EMAPT
SCHEMBL30458170 0.83 CYP2C9 (0.48) CYP2C9KMT2AALDH1A1LMNAKDM4E
SCHEMBL29228879 0.82 PKM (0.53) CYP2C9KMT2AALDH1A1LMNATSHR
SCHEMBL12922709 0.78 KDM4E (0.43) CYP2C9KMT2AALDH1A1LMNAKDM4E
SCHEMBL978858 0.77 MAPT (0.49) KMT2AALDH1A1LMNAKDM4ETSHR
SCHEMBL976969 0.77 ALDH1A1 (0.50) CYP2C9KMT2AALDH1A1CD4LMNA
SCHEMBL978126 0.77 KMT2A (0.51) CYP2C9KMT2AALDH1A1CD4LMNA
SCHEMBL30458179 0.75 RAB9A (0.41) CYP2C9KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL31607726 0.73 TNF (0.39) CYP2C9KMT2AALDH1A1NOD2NOD1
SCHEMBL12686069 0.71 KMT2A (0.55) CYP2C9KMT2AALDH1A1LMNAKDM4E

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 CYP2C9 2390/4885KMT2A 86/4885ALDH1A1 912/4885

“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.