SCHEMBL5844328

SCHEMBL5844328

COc1ccc(C)c(N2CC(C(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)CC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 5/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
MCL1 Q07820 1/20 0.52
HIF1A Q16665 1/20 0.52
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47

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
SCHEMBL5842154 0.90 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5842233 0.90 MAPT (0.56) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5842398 0.88 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL6612194 0.87 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5841207 0.87 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5842434 0.86 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5841312 0.86 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5842932 0.86 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1NPSR1KDM4E
SCHEMBL5842252 0.82 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1NPSR1USP2
SCHEMBL5844337 0.82 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1NPSR1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4395/4885SMN1; SMN2 3678/4885ALDH1A1 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.