SCHEMBL4264922

SCHEMBL4264922

CCOc1cc(N)nc(-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 5/20 0.59
MAPK1 P28482 1/20 0.59
ADORA1 P30542 4/20 0.50
ADORA2A P29274 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 4/20 0.47
GAA P10253 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ASIC3 Q9UHC3 2/20 0.44
TP53 P04637 4/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL8271637 0.88 NPC1 (0.58) NPC1ALDH1A1RAB9AMAPK1ADORA1
SCHEMBL13952547 0.86 XDH (0.51) NPC1ALDH1A1RAB9AMAPK1ADORA1
SCHEMBL4259992 0.83 XDH (0.56) ALDH1A1RAB9AADORA1ADORA2AMEN1
SCHEMBL4264891 0.81 TLR8 (0.49) NPC1ALDH1A1RAB9AMAPK1ADORA1
SCHEMBL4264916 0.81 XDH (0.46) NPC1ALDH1A1RAB9AMAPK1MEN1
SCHEMBL2088223 0.78 TSHR (0.48) NPC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL8830188 0.78 NPC1 (0.49) NPC1ALDH1A1RAB9AMAPK1ADORA1
SCHEMBL9704244 0.77 NPC1 (0.48) NPC1ALDH1A1RAB9AMAPK1ADORA1
SCHEMBL4271936 0.77 NPC1 (0.55) NPC1ALDH1A1RAB9AMAPK1LMNA
SCHEMBL11781553 0.75 NPC1 (0.57) NPC1ALDH1A1RAB9AMAPK1LMNA

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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 (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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 NPC1 485/4885ALDH1A1 435/4885RAB9A 1224/4885

“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.