SCHEMBL2978359

SCHEMBL2978359

CC(=O)Nc1cccc(-c2ccc3[nH]c4c(c3c2)CN(c2ncc(C(=O)O)c(C)n2)CC4)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
CHEK1 O14757 2/20 0.40
FGFR1 P11362 1/20 0.40
NEK2 P51955 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
BAZ2B Q9UIF8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK10 P53779 1/20 0.39
MAP4K1 Q92918 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PARP1 P09874 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MAP4K4 O95819 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
SCHEMBL2980416 0.91 BAZ2B (0.47) BAZ2BKMT2AKDM4EALDH1A1POLB
SCHEMBL2980506 0.90 SIRT2 (0.40) DHODHSIRT2TRPV1BAZ2BPTPN11
SCHEMBL2986272 0.87 SIRT2 (0.46) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL2972061 0.87 SIRT2 (0.41) DHODHSIRT2TRPV1BAZ2BMEN1
SCHEMBL2970394 0.85 SIRT2 (0.44) SIRT2BAZ2BMEN1KMT2AKDM4E
SCHEMBL2973482 0.85 SIRT2 (0.44) SIRT2TRPV1BAZ2BALDH1A1
SCHEMBL2978681 0.85 SIRT2 (0.44) DHODHSIRT2TRPV1BAZ2BKDM4E
SCHEMBL2980535 0.85 SIRT2 (0.44) SIRT2BAZ2BMEN1KMT2AALDH1A1
SCHEMBL5374096 0.84 BAZ2B (0.51) SIRT2BAZ2B
SCHEMBL2980633 0.84 SIRT2 (0.43) SIRT2BAZ2BMEN1KMT2AKDM4E

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 DHODH 2851/4885SIRT2 28/4885TRPV1 4254/4885

“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.