SCHEMBL975162

SCHEMBL975162

Cc1ccc(N)cc1.Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.49
HDAC1 Q13547 8/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F10 P00742 7/20 0.44
DHFR P00374 1/20 0.43
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL977699 0.93 HDAC2 (0.55) HDAC2HDAC1MEN1ALDH1A1GAA
SCHEMBL976883 0.91 HDAC2 (0.51) HDAC2HDAC1MEN1ALDH1A1GAA
Sulfuric Acid SCHEMBL977908 0.90 HDAC2 (0.52) HDAC2HDAC1MEN1ALDH1A1GAA
SCHEMBL979821 0.85 HDAC1 (0.49) HDAC2HDAC1MEN1ALDH1A1GAA
SCHEMBL977565 0.84 F10 (0.50) HDAC1F10HDAC3F2F9
SCHEMBL975563 0.84 F10 (0.48) HDAC1F10HDAC3NPC1RAB9A
SCHEMBL978476 0.82 F10 (0.46) F10NPC1RAB9AF2F9
SCHEMBL979685 0.81 HDAC1 (0.53) HDAC1F10HDAC3F2F9
SCHEMBL975313 0.81 F10 (0.51) HDAC2HDAC1ALDH1A1F10HDAC3
SCHEMBL977373 0.80 F10 (0.50) MEN1ALDH1A1MAPTKMT2AF10

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 4 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
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 HDAC2 6/4885HDAC1 1/4885MEN1 3674/4885

“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.