SCHEMBL979824

SCHEMBL979824

Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)Nc1cccc(OC(F)(F)F)c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.49
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC2 Q92769 1/20 0.40
F2 P00734 1/20 0.39
F9 P00740 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
F7 P08709 1/20 0.39
PRSS3 P35030 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL977294 0.92 F10 (0.48) F10LIMK1LIMK2HDAC1HDAC3
SCHEMBL975024 0.91 F10 (0.50) F10HDAC1HDAC3NPC1RAB9A
SCHEMBL978507 0.91 NAMPT (0.46) F10HDAC1HDAC3HDAC6F2
SCHEMBL976159 0.90 F10 (0.62) F10HDAC1HDAC3NPC1RAB9A
SCHEMBL976010 0.88 GRM5 (0.49) F10HDAC1HDAC3NPC1RAB9A
SCHEMBL977859 0.88 POLB (0.48) F10HDAC1HDAC3POLBMAPT
SCHEMBL978022 0.84 HDAC1 (0.49) F10HDAC1HDAC3HDAC6
SCHEMBL976409 0.83 F10 (0.49) F10HDAC1HDAC3HDAC6HDAC2
SCHEMBL978994 0.83 F10 (0.47) F10HDAC1HDAC3NPC1RAB9A
SCHEMBL977382 0.83 F10 (0.44) F10HDAC1HDAC3HDAC6F2

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 claimed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP claimed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US claimed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US 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 F10 2726/4885LIMK1 4079/4885LIMK2 3358/4885

“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.