SCHEMBL5843794

SCHEMBL5843794

Cc1cc(C)nc(CCNc2ccc(NC(=O)C3CC(=O)N(CCN4CCOCC4)C3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.44
RXFP3 Q9NSD7 2/20 0.43
MAPT P10636 3/20 0.42
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5841942 0.93 CYP2D6 (0.49) LMNANPC1ALDH1A1L3MBTL1RXFP3
SCHEMBL5842777 0.84 LMNA (0.61) LMNANPC1ALDH1A1L3MBTL1KMT2A
SCHEMBL5843197 0.83 RXFP3 (0.52) LMNAALDH1A1L3MBTL1KMT2ARXFP3
SCHEMBL5843797 0.83 NPC1 (0.48) LMNANPC1ALDH1A1GAAL3MBTL1
SCHEMBL5843922 0.81 ALDH1A1 (0.64) LMNANPC1ALDH1A1L3MBTL1KDM4E
SCHEMBL5841681 0.81 ALDH1A1 (0.47) LMNANPC1ALDH1A1L3MBTL1KMT2A
SCHEMBL5843789 0.81 ALDH1A1 (0.47) LMNANPC1ALDH1A1GAAL3MBTL1
SCHEMBL27599370 0.80 MAPT (0.69) LMNAALDH1A1L3MBTL1KMT2ARXFP3
SCHEMBL5843044 0.79 ALDH1A1 (0.50) LMNANPC1ALDH1A1L3MBTL1KDM4E
SCHEMBL5842916 0.78 ALDH1A1 (0.48) LMNANPC1ALDH1A1L3MBTL1KDM4E

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 LMNA 3430/4885NPC1 4071/4885ALDH1A1 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.