SCHEMBL25995484

SCHEMBL25995484

Cc1nc2cc(N)c(C(C)(C)O)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
STAT1 P42224 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LRRK2 Q5S007 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TERT O14746 1/20 0.32

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
SCHEMBL17278421 0.86 L3MBTL1 (0.36) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL14431307 0.77 GAA (0.41) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL23626191 0.77 SMN1; SMN2 (0.34) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL30952890 0.77 SMN1; SMN2 (0.34) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL24910475 0.77 L3MBTL1 (0.43) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL25097257 0.77 TERT (0.50) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL12228828 0.76 RAB9A (0.51) L3MBTL1GAASMN1; SMN2POLBALDH1A1
SCHEMBL24403092 0.75 RAB9A (0.50) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL10785167 0.75 SMN1; SMN2 (0.47) L3MBTL1GAACHRNB2CHRNA4SMN1; SMN2
SCHEMBL8221475 0.74 L3MBTL1 (0.41) L3MBTL1GAACHRNB2CHRNA4SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701331-B2 Toxic aldehyde related diseases and treatment ALDEYRA THERAPEUTICS, INC. (US) 2023-07-18 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-11701331-B2 Toxic aldehyde related diseases and treatment ALDH1A2, ALDH2, ALDH1A1 L3MBTL1 286/4885GAA 435/4885CHRNB2 3378/4885

“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.