SCHEMBL29907393

SCHEMBL29907393

O=C(Nc1ccc(C2(O)CCC2)cc1)c1cccn(-c2ccccc2OCC(F)(F)F)c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.69
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
AURKA O14965 1/20 0.38
AXL P30530 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.37
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR1 P21453 1/20 0.36
LCLAT1 Q6UWP7 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
SCHEMBL24464285 1.00 UGCG (0.69) UGCGKMT2ANPC1AURKAAXL
SCHEMBL29907495 0.92 UGCG (0.58) UGCGKMT2ANPC1AURKAAXL
SCHEMBL29907411 0.88 UGCG (0.60) UGCGKMT2ANPC1AURKAAXL
SCHEMBL24464251 0.88 UGCG (0.60) UGCGKMT2ANPC1AURKAAXL
SCHEMBL29907485 0.84 UGCG (0.78) UGCGKMT2ANPC1MRGPRX1MAPT
SCHEMBL24464224 0.84 UGCG (0.81) UGCGKMT2ANPC1AXLMRGPRX1
SCHEMBL29907592 0.82 UGCG (1.00) UGCGKMT2ANPC1AXLMAPT
SCHEMBL29907670 0.82 UGCG (0.83) UGCGKMT2ANPC1AXLMAPT
SCHEMBL29907476 0.81 UGCG (0.81) UGCGKMT2ANPC1AXLMAPT
SCHEMBL29907554 0.81 UGCG (0.72) UGCGKMT2AAXLMAPTRXFP1

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-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885KMT2A 540/4885NPC1 226/4885

“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.