SCHEMBL5772024

SCHEMBL5772024

O=C(CCc1cnoc1-c1ccccc1)Nc1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
RAB9A P51151 8/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
WNT3A P56704 1/20 0.45
KMT2A Q03164 2/20 0.44
NOTUM Q6P988 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PDE10A Q9Y233 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
SORT1 Q99523 1/20 0.38

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
SCHEMBL5770081 0.79 GAA (0.45) SMN1; SMN2KMT2ANOTUMLMNATSHR
SCHEMBL5775546 0.76 PABPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ANOTUM
SCHEMBL5774472 0.75 RXRA (0.50) LMNATSHRMAPK1
SCHEMBL5775645 0.75 MAPT (0.45) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL5773983 0.74 GLA (0.53) SMN1; SMN2KMT2ALMNAL3MBTL1MAPK1
SCHEMBL5777386 0.74 LMNA (0.47) SMN1; SMN2KMT2ALMNAMAPK1
SCHEMBL5773375 0.73 ALDH1A1 (0.56) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5770831 0.73 NR4A2 (0.52) NPC1RAB9ASMN1; SMN2KMT2AADORA2A
SCHEMBL5774948 0.73 FFAR1 (0.51) RAB9ASMN1; SMN2LMNATSHRMAPK1
SCHEMBL5773299 0.72 MAPT (0.54) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (2 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR NPC1 2417/4885RAB9A 3076/4885NFKB1 3932/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 NPC1 1770/4885RAB9A 3507/4885NFKB1 4077/4885

“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.