SCHEMBL5841845

SCHEMBL5841845

CC(C)c1ccccc1N1CC(C(=O)Nc2ccc(Nc3ccccc3CC3CC3)cc2)CC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL5841584 0.91 MEN1 (0.58) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5842343 0.89 MEN1 (0.54) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5844184 0.88 ALOX15 (0.61) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5841925 0.88 ALOX15 (0.55) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5842611 0.85 MAPT (0.62) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5843598 0.84 ALOX15 (0.67) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5841856 0.83 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTNPSR1GFER
SCHEMBL5841318 0.81 MAPT (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5841837 0.80 ALOX15 (0.57) MEN1KMT2AALOX15ALDH1A1SMN1; SMN2
SCHEMBL5841938 0.79 SMN1; SMN2 (0.53) KMT2AALDH1A1SMN1; SMN2

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 MEN1 3619/4885KMT2A 3347/4885ALOX15 902/4885

“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.