SCHEMBL5843200

SCHEMBL5843200

Cc1ccc(C)c(N2CC(C(=O)Nc3ccc(NCc4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.47
HIF1A Q16665 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.44
THRB P10828 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
SCHEMBL5841400 0.91 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL5842938 0.90 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL5842946 0.88 ALDH1A1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL5841000 0.86 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL5842512 0.85 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL5844738 0.84 ALDH1A1 (0.73) ALDH1A1MAPTLMNATP53POLB
SCHEMBL5843367 0.83 MAPT (0.62) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E
SCHEMBL5841634 0.83 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1SMN1; SMN2TP53
SCHEMBL5843205 0.83 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL5841403 0.83 MAPT (0.51) ALDH1A1MAPTNPSR1SMN1; SMN2KDM4E

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 4395/4885NPSR1 24/4885

“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.