SCHEMBL13777987

SCHEMBL13777987

O=C1C[C@H](c2ccccc2)N=C(c2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTRC Q99895 1/20 0.41
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
CTRB1 P17538 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
ALDH2 P05091 1/20 0.36

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
SCHEMBL4163621 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4046759 0.78 USP1 (0.38) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13495018 0.72 NPC1 (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29938562 0.72 NPC1 (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1149438 0.72 NPC1 (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3384117 0.70 USP1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL5620336 0.69 NPC1 (0.68) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6136318 0.68 SMN1; SMN2 (0.32) SMN1; SMN2NOS3
SCHEMBL1299088 0.68 MAPT (0.77) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17309174 0.67 MAOB (0.49) MAPTGAAKDM4EKMT2ANOS3

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-20090187017-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED BETA-AMINO ACID DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2009-07-23 US disclosed
US-20090187017-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED BETA-AMINO ACID DERIVATIVES EVONIK DEGUSSA GMBH (DE) 2009-07-23 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-20090187017-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED BETA-AMINO ACID DERIVATIVES DAO, ALDH7A1, AADAT ALDH1A1 175/4885MAPT 3826/4885NPC1 4560/4885

“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.