SCHEMBL5841216

SCHEMBL5841216

COc1cccc(N2CC(C(=O)Nc3ccc(NCCc4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL5842555 0.91 NPSR1 (0.61) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5843649 0.91 ALDH1A1 (0.60) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5843916 0.90 ALDH1A1 (0.71) ALDH1A1MAPTGAAPOLBKMT2A
SCHEMBL5843005 0.87 ALDH1A1 (0.49) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5844447 0.87 ALDH1A1 (0.61) ALDH1A1USP2GAAPOLBKMT2A
SCHEMBL5842345 0.85 NPSR1 (0.64) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5842512 0.82 ALDH1A1 (0.62) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5842567 0.82 MAPT (0.60) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5842831 0.82 MAPT (0.65) ALDH1A1MAPTUSP2GAANPSR1
SCHEMBL5841214 0.81 MAPT (0.58) ALDH1A1MAPTUSP2GAANPSR1

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-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
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 ALDH1A1 3034/4885MAPT 4395/4885USP2 4171/4885

“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.