SCHEMBL2979592

SCHEMBL2979592

Cc1nc(N2CCc3[nH]c4ccc(-c5cccc(CN6CCOCC6)c5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ACHE P22303 3/20 0.42
DHODH Q02127 3/20 0.41
AKR1B1 P15121 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
AVPR1B P47901 1/20 0.39
JAK2 O60674 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
AOC3 Q16853 2/20 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
SCHEMBL2978997 0.92 ACHE (0.42) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2970783 0.91 ACHE (0.41) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2978937 0.89 ACHE (0.40) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2978681 0.88 SIRT2 (0.44) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2978158 0.87 DHODH (0.46) PARP1ACHEDHODHAKR1B1AVPR1B
SCHEMBL2980337 0.86 AKR1B1 (0.45) ACHEDHODHAKR1B1ALDH1A1GAA
SCHEMBL2972061 0.85 SIRT2 (0.41) ACHEDHODHAKR1B1SIRT2ALDH1A1
SCHEMBL2979588 0.84 TLR8 (0.47) PARP1TLR8TLR7ACHEAKR1B1
SCHEMBL2973482 0.84 SIRT2 (0.44) SIRT2ALDH1A1GAAMAPTCASP1
SCHEMBL2986272 0.84 SIRT2 (0.46) SIRT2ALDH1A1GAAMAPTCASP1

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 PARP1 196/4885TLR8 4457/4885TLR7 4350/4885

“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.