SCHEMBL3785208

SCHEMBL3785208

NCc1c(N)cccc1-c1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
IDO1 P14902 4/20 0.38
PTPRC P08575 1/20 0.38
ADORA2A P29274 1/20 0.38
DPP4 P27487 2/20 0.35
HTR2A P28223 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL3780645 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1HSD17B10CYP3A4LOXL2
SCHEMBL3791004 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL460781 0.78 CYP3A4 (0.43) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL169281 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL31607672 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL3786286 0.77 LOXL2 (0.43) ALDH1A1L3MBTL1HSD17B10CYP3A4LOXL2
SCHEMBL3790601 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
SCHEMBL17709509 0.74 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL21465353 0.74 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2
Ammonia Solution, Strong SCHEMBL21297045 0.74 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10CYP3A4SMN1; SMN2

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.