SCHEMBL5843822

SCHEMBL5843822

O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CC(=O)N(c2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA4 P22748 2/20 0.59
CA6 P23280 2/20 0.59
CA7 P43166 2/20 0.59
CA13 Q8N1Q1 2/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ROCK2 O75116 1/20 0.52

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
SCHEMBL5842699 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL5845944 0.83 MAPT (0.55) CA12CA1CA4CA6CA7
SCHEMBL6609908 0.82 CYP1A2 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL5841303 0.81 SMN1; SMN2 (0.66) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5841502 0.79 POLB (0.72) CA12CA1CA4CA6CA7
SCHEMBL5843116 0.79 CA12 (0.72) CA12CA1CA4CA6CA7
SCHEMBL5841099 0.76 ALDH1A1 (0.51) MAPTTDP1ALDH1A1GAAMEN1
SCHEMBL21150842 0.76 CA12 (0.68) CA12CA1CA4CA6CA7
SCHEMBL5842380 0.76 CA12 (0.68) CA12CA1CA4CA6CA7
SCHEMBL5843350 0.75 MAPT (0.72) CA12CA1CA4CA6CA7

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 3 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 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

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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R CA12 1561/4885CA1 1139/4885CA4 1155/4885

“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.