SCHEMBL3157604

SCHEMBL3157604

C/N=C/c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TUBB1 Q9H4B7 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HPGD P15428 3/20 0.34
POLB P06746 3/20 0.34
BLM P54132 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
ALOX5 P09917 3/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL3157608 1.00 ALDH1A1 (0.42) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL11744106 0.83 NPC1 (0.54) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL13521557 0.81 NPC1 (0.58) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL7820867 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ACASP3
SCHEMBL7820864 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ACASP3
SCHEMBL1937074 0.79 ALDH1A1 (0.50) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL2166114 0.79 ALDH1A1 (0.50) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL1937076 0.79 ALDH1A1 (0.50) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL19765536 0.77 ALDH1A1 (0.40) ALDH1A1TUBB1SMN1; SMN2NPC1RAB9A
SCHEMBL22050816 0.77 TUBB1 (0.46) ALDH1A1TUBB1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753719-B1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2010-03-03 EP disclosed
US-20070172421-A1 Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-07-26 US disclosed
CN-1960971-A Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-05-09 CN disclosed
EP-1753719-A1 SUBSTITUTED PYRROLIDINE-2-ONES Novartis AG (CH) 2007-02-21 EP disclosed
WO-2005118535-A1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2005-12-15 WO 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-20070172421-A1 Substituted pyrrolidine-2-ones PRLHR, EPOR, FLT1 ALDH1A1 567/4885TUBB1 2736/4885SMN1; SMN2 3017/4885

“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.