SCHEMBL2978283

SCHEMBL2978283

Cc1nc(N2CCc3[nH]c4cc(-c5ccccc5)ccc4c3C2)ncc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.41
GBA1 P04062 1/20 0.41
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
DHODH Q02127 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
RBP4 P02753 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CFTR P13569 1/20 0.38
FEN1 P39748 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL2970593 0.91 MPL (0.37) MPLGBA1CDK4CCND1LMNA
SCHEMBL2978158 0.88 DHODH (0.46) DHODH
SCHEMBL2978816 0.87 BAZ2B (0.44) GBA1LMNAMAPTBAZ2BRBP4
SCHEMBL2986272 0.85 SIRT2 (0.46) GBA1LMNAMAPTBAZ2BSIRT2
SCHEMBL2966428 0.84 SIRT2 (0.40) DHODHLMNAMAPTBAZ2BSIRT2
SCHEMBL2981584 0.84 SIRT2 (0.40) DHODHLMNAMAPTBAZ2BSIRT2
SCHEMBL2973482 0.84 SIRT2 (0.44) GBA1CDK4CCND1LMNAMAPT
SCHEMBL2970394 0.84 SIRT2 (0.44) MPLGBA1LMNAMAPTBAZ2B
SCHEMBL2980535 0.83 SIRT2 (0.44) MAPTBAZ2BSIRT2CFTR
SCHEMBL2978681 0.83 SIRT2 (0.44) DHODHLMNAMAPTBAZ2BSIRT2

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 MPL 4770/4885GBA1 1174/4885CDK4 263/4885

“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.