SCHEMBL979192

SCHEMBL979192

NC(=O)c1sc2c(c1-c1cc(F)ccc1N)CCN(C(=O)NCc1cccnc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 1/20 0.42
SCD O00767 1/20 0.41
RORC P51449 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL978800 0.90 RECQL (0.41) NAMPTCYP3A4SCDMEN1KMT2A
SCHEMBL978824 0.86 CSNK1E (0.47) HDAC2
SCHEMBL978143 0.81 CSNK1E (0.43) CYP3A4NPC1HDAC1HDAC2SMN1; SMN2
SCHEMBL977071 0.76 HDAC1 (0.49) NAMPTMEN1NPC1KMT2ALMNA
SCHEMBL978005 0.70 PDE10A (0.41) NAMPTCYP3A4NPC1SMN1; SMN2CYP1A2
SCHEMBL976864 0.69 HDAC1 (0.49) NAMPTCYP3A4LMNAHDAC3HDAC4
SCHEMBL976354 0.69 PDGFRB (0.45)
SCHEMBL975040 0.67 HDAC1 (0.49) NAMPTCYP3A4HDAC3HDAC4HDAC1
SCHEMBL978152 0.67 HDAC1 (0.44) HDAC3HDAC1HDAC2
SCHEMBL1313427 0.66 TP53 (0.74) MEN1KMT2AGAARECQLLMNA

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 NAMPT 485/4885CYP3A4 1362/4885CYP17A1 748/4885

“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.