SCHEMBL3784580

SCHEMBL3784580

COC1(N)CC=CC=C1c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAP4K4 O95819 5/20 0.32
MEN1 O00255 2/20 0.31
PSIP1 O75475 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 2/20 0.31
MCL1 Q07820 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3782083 0.85 TP53 (0.36) MAOACYP3A4ALDH1A1TP53TSHR
SCHEMBL28924288 0.83 KDM4E (0.31) HTTKDM4E
SCHEMBL3790574 0.82 MAOA (0.40) MAOACYP3A4ALDH1A1MEN1HPGD
SCHEMBL3790447 0.81 MAOA (0.39) MAOACYP3A4ALDH1A1MAP4K4MEN1
SCHEMBL3788292 0.78 MAOA (0.37) MAOACYP3A4MAP4K4MEN1PSIP1
SCHEMBL3781938 0.78 MAOA (0.37) MAOACYP3A4MAP4K4MEN1PSIP1
SCHEMBL3789287 0.78 MAOA (0.39) MAOACYP3A4ALDH1A1MAP4K4MEN1
SCHEMBL3787417 0.78 MAOA (0.39) MAOACYP3A4ALDH1A1MAP4K4MEN1
SCHEMBL3781524 0.77 MAP4K4 (0.37) MAOACYP3A4MAP4K4MEN1PSIP1
SCHEMBL3808739 0.75 MAOA (0.37) MAOACYP3A4ALDH1A1MAP4K4MEN1

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 348/4885CYP3A4 177/4885ALDH1A1 4339/4885

“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.