SCHEMBL3789321

SCHEMBL3789321

Nc1cccc(-c2[c]ccs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
RECQL P46063 2/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
CASP1 P29466 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAP4K4 O95819 5/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 3/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL28253383 0.78 RAB9A (0.41) MAOATSHRTP53MEN1KDM4E
SCHEMBL2236313 0.78 KDM4E (0.41) TP53MEN1KDM4EMAPTKMT2A
SCHEMBL3790001 0.76 CYP3A4 (0.42) BRD4CYP3A4LMNATP53MEN1
SCHEMBL28209751 0.70 CYP2E1 (0.32) CYP3A4LMNATP53MEN1KMT2A
SCHEMBL29403794 0.70 MAOA (0.83) MAOARECQLCASP1CYP3A4MAP4K4
SCHEMBL30500254 0.70 MAOA (0.83) MAOARECQLCASP1CYP3A4MAP4K4
SCHEMBL251095 0.70 MAOA (0.83) MAOARECQLCASP1CYP3A4MAP4K4
SCHEMBL3781511 0.68 LTA4H (0.48)
SCHEMBL310174 0.67 MAOA (0.79) MAOARECQLCASP1CYP3A4MAP4K4
SCHEMBL11388729 0.67 MAOA (0.79) MAOARECQLCASP1CYP3A4MAP4K4

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 348/4885RECQL 1576/4885TSHR 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.