SCHEMBL3784048

SCHEMBL3784048

CCSc1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
PTGS2 P35354 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EPHX2 P34913 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3781383 0.87 MAOA (0.48) MAOAPTGS2CYP3A4EPHX2KDM4E
SCHEMBL3789535 0.87 CYP3A4 (0.42) MAOAPTGS2HSD17B10TDP1CYP3A4
SCHEMBL3787334 0.81 MAOA (0.48) MAOAPTGS2HSD17B10TDP1CYP3A4
SCHEMBL3784732 0.81 ALDH1A1 (0.42) PTGS2ADORA2AADORA1HSD17B10EPHX2
SCHEMBL4539011 0.79 PTGS2 (0.62) MAOAPTGS2ADORA2AADORA1HSD17B10
SCHEMBL3789234 0.78 PTGS2 (0.50) MAOAPTGS2CYP3A4EPHX2FFAR4
SCHEMBL3789926 0.77 MAOA (0.48) MAOAHSD17B10TDP1CYP3A4TAAR1
SCHEMBL3787437 0.76 PTGS2 (0.56) MAOAPTGS2HSD17B10TDP1CYP3A4
SCHEMBL3789813 0.76 MAOA (0.53) MAOAPTGS2CYP3A4TAAR1FFAR4
SCHEMBL4533395 0.76 PTGS2 (0.46) MAOAPTGS2ADORA2AADORA1HSD17B10

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 MAOA 348/4885PTGS2 3544/4885ADORA2A 2101/4885

“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.