SCHEMBL5843044

SCHEMBL5843044

Cc1cc(C)nc(CCNc2ccc(NC(=O)C3CC(=O)N(CC(O)c4ccccc4)C3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP3 Q9NSD7 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL5841921 0.91 ALDH1A1 (0.51) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5843922 0.87 ALDH1A1 (0.64) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5842777 0.86 LMNA (0.61) ALDH1A1NPC1LMNAMAPTSMN1; SMN2
SCHEMBL5842742 0.86 ALDH1A1 (0.55) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5843048 0.83 PKM (0.50) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5843916 0.83 ALDH1A1 (0.71) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL5841923 0.83 ALDH1A1 (0.51) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5842916 0.81 ALDH1A1 (0.48) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5843041 0.81 ALDH1A1 (0.54) ALDH1A1NPC1PKMLMNAMAPT
SCHEMBL5841681 0.81 ALDH1A1 (0.47) ALDH1A1NPC1LMNAMAPTSMN1; SMN2

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 3034/4885NPC1 4071/4885PKM 2585/4885

“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.