SCHEMBL5842936

SCHEMBL5842936

Cc1cc(C)nc(CNc2ccc(NC(=O)C3CC(=O)N(CCc4cccs4)C3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 6/20 0.53
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL5843197 0.92 RXFP3 (0.52) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5843753 0.88 RXFP3 (0.56) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5842685 0.86 SMN1; SMN2 (0.59) RXFP3ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL5842943 0.85 RXFP3 (0.51) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5843202 0.85 RXFP3 (0.51) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5841926 0.84 ALDH1A1 (0.48) RXFP3ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL5843190 0.84 RXFP3 (0.50) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5841224 0.81 ALDH1A1 (0.67) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL5842543 0.80 SMN1; SMN2 (0.55) RXFP3ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL18887500 0.80 RXFP3 (0.51) RXFP3ALDH1A1SMN1; SMN2MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RXFP3 52/4885ALDH1A1 3034/4885SMN1; SMN2 3678/4885

“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.