SCHEMBL5841684

SCHEMBL5841684

Cc1cc(C)nc(C(C)Nc2ccc(NC(=O)C3CC(=O)N(CCc4ccccn4)C3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
RXFP3 Q9NSD7 2/20 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
SCHEMBL5842780 0.88 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL5842238 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL5841926 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL5841681 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL5843202 0.84 RXFP3 (0.51) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL5841935 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL5843929 0.83 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2PKMKMT2ALMNA
SCHEMBL5841677 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL5841945 0.82 CYP2D6 (0.44) ALDH1A1SMN1; SMN2PKMLMNANPC1
SCHEMBL5843048 0.81 PKM (0.50) ALDH1A1SMN1; SMN2PKMKMT2ALMNA

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 3034/4885SMN1; SMN2 3678/4885PKM 2585/4885

“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.