SCHEMBL5842512

SCHEMBL5842512

Cc1cccc(N2CC(C(=O)Nc3ccc(NCc4nc(C)cc(C)n4)cc3)CC2=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
GAA P10253 2/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 1/20 0.50
POLB P06746 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5844738 0.92 ALDH1A1 (0.73) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5842555 0.91 NPSR1 (0.61) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5843649 0.91 ALDH1A1 (0.60) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5842946 0.90 ALDH1A1 (0.62) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5842564 0.86 ALDH1A1 (0.65) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5843200 0.85 ALDH1A1 (0.53) ALDH1A1LMNAPOLBMAPTNPSR1
SCHEMBL5842314 0.84 SMN1; SMN2 (0.66) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL5843662 0.83 ALDH1A1 (0.56) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL5842523 0.83 ALDH1A1 (0.58) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL5843916 0.82 ALDH1A1 (0.71) ALDH1A1GAAKMT2AMEN1LMNA

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 3034/4885GAA 793/4885KMT2A 3347/4885

“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.