SCHEMBL3781090

SCHEMBL3781090

CN(C)c1c(N)cccc1-c1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
IDO1 P14902 2/20 0.37
TSHR P16473 2/20 0.37
PIK3CA P42336 1/20 0.37
GAA P10253 4/20 0.37
PTPRC P08575 1/20 0.36
ADORA2A P29274 1/20 0.36
CHEK1 O14757 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 4/20 0.35

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
SCHEMBL3783745 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2GAA
SCHEMBL8999976 0.81 CYP3A4 (0.48) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL3786886 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1HSD17B10CYP3A4ALOX15
SCHEMBL3792075 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL169281 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL31607672 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL3787215 0.75 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL3784696 0.75 MAP4K4 (0.46) ALDH1A1HSD17B10CYP3A4CASP1TSHR
Methyl Alcohol SCHEMBL28248582 0.73 ALDH1A1 (0.81) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL18509851 0.73 CD44 (0.52) ALDH1A1HSD17B10CYP3A4SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885

“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.