SCHEMBL5841293

SCHEMBL5841293

Cc1cc(C)nc(CCNc2ccc(NC(=O)C3CC(=O)N(c4ccccc4C(C)C)C3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.45
TP53 P04637 2/20 0.44
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
SCHEMBL5841634 0.91 ALDH1A1 (0.55) ALDH1A1ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL5843916 0.86 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5842322 0.85 ALDH1A1 (0.57) ALDH1A1ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL5841400 0.83 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5841298 0.83 ALOX15 (0.53) ALDH1A1ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL5844447 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL5841640 0.82 ALOX15 (0.52) ALDH1A1ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL5843649 0.82 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5841284 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15MAPTSMN1; SMN2MEN1
SCHEMBL5843005 0.81 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2ANPSR1

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 ALDH1A1 3034/4885ALOX15 902/4885MAPT 4395/4885

“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.