SCHEMBL2978997

SCHEMBL2978997

Cc1nc(N2CCc3[nH]c4ccc(-c5cccc(CN6CCNCC6)c5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.42
DHODH Q02127 2/20 0.42
AKR1B1 P15121 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CHRM3 P20309 6/20 0.39
TRPV1 Q8NER1 1/20 0.39
CHEK1 O14757 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2979592 0.92 PARP1 (0.42) ACHEDHODHAKR1B1SIRT2USP2
SCHEMBL2970783 0.91 ACHE (0.41) ACHEDHODHAKR1B1SIRT2CHEK1
SCHEMBL2978937 0.90 ACHE (0.40) ACHEDHODHAKR1B1SIRT2HDAC1
SCHEMBL2978681 0.88 SIRT2 (0.44) ACHEDHODHAKR1B1SIRT2TRPV1
SCHEMBL2978158 0.88 DHODH (0.46) ACHEDHODHAKR1B1HDAC6
SCHEMBL2980337 0.87 AKR1B1 (0.45) ACHEDHODHAKR1B1CHEK1HDAC1
SCHEMBL2972061 0.86 SIRT2 (0.41) ACHEDHODHAKR1B1SIRT2TRPV1
SCHEMBL2986272 0.84 SIRT2 (0.46) SIRT2ALDH1A1GAA
SCHEMBL2980535 0.84 SIRT2 (0.44) SIRT2USP2ALDH1A1GAA
SCHEMBL2966428 0.83 SIRT2 (0.40) ACHEDHODHAKR1B1SIRT2HDAC1

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 ACHE 4080/4885DHODH 2851/4885AKR1B1 1075/4885

“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.