SCHEMBL3789404

SCHEMBL3789404

Cc1cc(N)cc(-c2cccc(N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
MAP4K4 O95819 5/20 0.50
MEN1 O00255 2/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
RECQL P46063 2/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GFER P55789 2/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL13447709 0.98 MAOA (0.56) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL1186322 0.96 MAOA (0.62) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL18324673 0.91 ALDH1A1 (0.52) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL12354295 0.91 ALDH1A1 (0.52) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL13448362 0.89 MAOA (0.61) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL9886641 0.88 MAOA (0.59) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL23660959 0.87 MAOA (0.58) MAOAALDH1A1MAP4K4MEN1PSIP1
SCHEMBL3804904 0.86 MAOA (0.62) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL30469297 0.86 MAOA (0.62) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL23625516 0.86 DHODH (0.47) MAOAALDH1A1TSHRMAP4K4MEN1

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 348/4885ALDH1A1 4339/4885TSHR 1688/4885

“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.