SCHEMBL5841640

SCHEMBL5841640

Cc1cc(C)nc(N(C)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4C(C)C)C3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MCL1 Q07820 1/20 0.49
HIF1A Q16665 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA5B Q9Y2D0 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
SCHEMBL5841284 0.89 ALDH1A1 (0.50) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL5842600 0.87 ALOX15 (0.62) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL27617642 0.86 POLB (0.60) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5842322 0.86 ALDH1A1 (0.57) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL6609900 0.86 ALOX15 (0.43) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL5844742 0.86 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5841298 0.84 ALOX15 (0.53) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL5841634 0.83 ALDH1A1 (0.55) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL5843205 0.83 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5841293 0.82 ALDH1A1 (0.53) ALOX15MAPTALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN claimed
CN-100534990-C Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
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
CN-1610678-A Pyrrolidone carboxamides ACTELION PHARMACEUTICALS LTD (CH) 2005-04-27 CN 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 ALOX15 902/4885MAPT 4395/4885ALDH1A1 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.