SCHEMBL5841192

SCHEMBL5841192

Cc1cc(C)nc(N(C)c2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
PKM P14618 2/20 0.62
HTT P42858 2/20 0.62
RXFP3 Q9NSD7 2/20 0.61
ALDH1A1 P00352 8/20 0.58
TSHR P16473 1/20 0.58
CLK1 P49759 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 3/20 0.57
TMEM97 Q5BJF2 1/20 0.57
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL27599365 0.90 MAPT (0.67) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5842614 0.86 MAPT (0.74) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5841229 0.86 ALDH1A1 (0.68) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5841181 0.84 MAPT (0.72) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL27599370 0.83 MAPT (0.69) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5842333 0.82 ALDH1A1 (0.51) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5842690 0.81 SMN1; SMN2 (0.57) MAPTHTTRXFP3ALDH1A1SMN1; SMN2
SCHEMBL5841923 0.80 ALDH1A1 (0.51) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5842943 0.80 RXFP3 (0.51) MAPTPKMHTTRXFP3ALDH1A1
SCHEMBL5841935 0.78 ALDH1A1 (0.47) MAPTHTTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4395/4885PKM 2585/4885HTT 607/4885

“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.