SCHEMBL5844508

SCHEMBL5844508

CC(C)N(c1ccccc1)c1ccc(NC(=O)C2CC(=O)N(C3Cc4ccccc4C3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5842752 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5843226 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5842129 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5841897 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5841595 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5841930 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5842367 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5843404 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL5843795 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAHTTCA12
SCHEMBL5844178 0.80 ALOX15 (0.61) ALDH1A1SMN1; SMN2LMNAHTTL3MBTL1

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 ALDH1A1 3034/4885SMN1; SMN2 3678/4885LMNA 3430/4885

“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.