SCHEMBL5841854

SCHEMBL5841854

Cc1ccc(C)c(N2CC(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)CC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 7/20 0.56
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MCL1 Q07820 1/20 0.51
HIF1A Q16665 1/20 0.51
TP53 P04637 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50

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
SCHEMBL5842030 0.90 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL5842505 0.90 MAPT (0.64) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL5841126 0.89 MAPT (0.54) MAPTALDH1A1NPSR1SMN1; SMN2TDP1
SCHEMBL5841070 0.88 MAPT (0.56) MAPTALDH1A1NPSR1SMN1; SMN2TP53
SCHEMBL5843367 0.87 MAPT (0.62) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL5842457 0.86 ALDH1A1 (0.60) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL5841451 0.86 ALDH1A1 (0.69) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL5842097 0.86 MAPT (0.61) MAPTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL5843716 0.86 MAPT (0.59) MAPTALDH1A1NPSR1SMN1; SMN2L3MBTL1
SCHEMBL5842258 0.85 POLB (0.57) MAPTALDH1A1NPSR1SMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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 (2 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R MAPT 4395/4885ALDH1A1 3034/4885NPSR1 24/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE MAPT 3007/4885ALDH1A1 4380/4885NPSR1 515/4885

“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.