SCHEMBL3789301

SCHEMBL3789301

Nc1ccccc1-c1c(N)cccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 3/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
PDK2 Q15119 2/20 0.44
ADORA2A P29274 3/20 0.42
PTPRC P08575 1/20 0.42
GCGR P47871 1/20 0.38
CSNK1A1 P48729 2/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1G1 Q9HCP0 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
FGR P09769 1/20 0.38
PIM1 P11309 1/20 0.38
MAOA P21397 1/20 0.38
DYRK1A Q13627 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
PABPC1 P11940 2/20 0.37
HSPA1A P0DMV8 1/20 0.37

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
SCHEMBL6938421 0.85 CYP3A4 (0.43) ALDH1A1HSD17B10PDCD1CD274PDK2
SCHEMBL3785160 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10PDK2ADORA2A
SCHEMBL3794284 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL3787362 0.80 PDCD1 (0.48) ALDH1A1HSD17B10PDCD1CD274PDK2
SCHEMBL21380585 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10PDK2ADORA2A
SCHEMBL3786241 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL10714776 0.78 AKR1B1 (0.48) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
SCHEMBL7389021 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1HSD17B10PDK2ADORA2A
SCHEMBL21380578 0.77 HTR2A (0.44) ALDH1A1L3MBTL1HSD17B10ADORA2APTPRC
Isatoic Anhydride SCHEMBL29700086 0.75

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.