SCHEMBL874778

SCHEMBL874778

C1=C(N2CCOCC2)COCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 4/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 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
SCHEMBL30071064 0.89
SCHEMBL29307360 0.80 LMNA (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL27793746 0.75 LMNA (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL497792 0.74 LMNA (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL150625 0.72 CYP1A2 (0.41) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL1637792 0.71 CYP1A2 (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL7143361 0.71 CYP1A2 (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL10738011 0.71 CYP1A2 (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL21580897 0.71 LMNA (0.32) LMNAALDH1A1KDM4EALOX15HSD17B10
SCHEMBL7091842 0.71 CYP1A2 (0.40) LMNAMAPTMEN1KMT2AALDH1A1

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 LRRK2 157/4885LMNA 616/4885MAPT 15/4885

“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.