SCHEMBL4265804

SCHEMBL4265804

COC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HSD17B10 Q99714 1/20 0.57
ADORA3 P0DMS8 6/20 0.55
ADORA1 P30542 6/20 0.55
ADORA2A P29274 4/20 0.55
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.51
ADORA2B P29275 1/20 0.51
PLA2G2A P14555 1/20 0.50
NTSR1 P30989 1/20 0.49

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
SCHEMBL2259750 0.86 ADORA3 (0.56) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL985111 0.86 LMNA (0.54) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL24859014 0.84 MAPT (0.51) ALDH1A1HPGDKDM4EADORA3ADORA1
SCHEMBL6394758 0.83 LMNA (0.51) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL29214354 0.83 NPC1 (0.57) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL30925072 0.83 NPC1 (0.57) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL2588413 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL2580453 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL28490522 0.81 TSHR (0.57) ALDH1A1HPGDKDM4EHSD17B10ADORA3
SCHEMBL30937999 0.81 ADORA1 (0.59) ALDH1A1HPGDKDM4EADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed
CN-118063391-A Pyrimidine compound and synthetic method and application thereof 云南民族大学 2024-05-24 CN 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 ALDH1A1 435/4885HPGD 1713/4885KDM4E 1998/4885

“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.