SCHEMBL5843008

SCHEMBL5843008

COc1ccc(C)c(N2CC(C(=O)Nc3ccc(NC(C)c4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 4/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL5841403 0.90 MAPT (0.51) SMN1; SMN2MAPTALDH1A1TP53NPSR1
SCHEMBL5842831 0.87 MAPT (0.65) SMN1; SMN2MAPTALDH1A1TP53USP2
SCHEMBL5842706 0.86 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1TP53USP2
SCHEMBL5842938 0.83 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1TP53USP2
SCHEMBL5842942 0.83 MAPT (0.53) SMN1; SMN2MAPTALDH1A1TP53USP2
SCHEMBL5841298 0.82 ALOX15 (0.53) SMN1; SMN2MAPTALDH1A1TP53NPSR1
SCHEMBL5843005 0.82 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1TP53USP2
SCHEMBL5843928 0.82 ALDH1A1 (0.67) MAPTALDH1A1TP53USP2GAA
SCHEMBL5844459 0.82 TP53 (0.63) SMN1; SMN2ALDH1A1TP53USP2GAA
SCHEMBL5843000 0.81 MAPT (0.49) SMN1; SMN2MAPTALDH1A1TP53USP2

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 SMN1; SMN2 3678/4885MAPT 4395/4885ALDH1A1 3034/4885

“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.