SCHEMBL3601557

SCHEMBL3601557

O=C(O)c1ccnc(-c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 3/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
KMO O15229 1/20 0.42
LRRK2 Q5S007 1/20 0.42
P2RY1 P47900 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL3611225 0.84 GAA (0.60) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL6840278 0.80 GAA (0.66) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL3601560 0.79 TTR (0.45) KMOP2RY1MRGPRX4
SCHEMBL8721822 0.79 MAPT (0.50) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL7110619 0.77 MAPT (0.74) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL29387718 0.75 FFAR4 (0.52) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL336755 0.75 FFAR4 (0.52) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL893266 0.74 TRPV3 (0.47) SCN9A
SCHEMBL5524087 0.74 L3MBTL1 (0.62) GAAL3MBTL1ALDH1A1POLBRAB9A
SCHEMBL8721027 0.74 KMO (0.60) GAAL3MBTL1ALDH1A1POLBRAB9A

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 GAA 831/4885L3MBTL1 4290/4885ALDH1A1 400/4885

“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.