SCHEMBL3787570

SCHEMBL3787570

Nc1cccc(C2=CC=CCC2(N)Sc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
MECP2 P51608 1/20 0.34
MCL1 Q07820 1/20 0.32
GLA P06280 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
ATAD2 Q6PL18 1/20 0.31
MAP4K4 O95819 2/20 0.31
ASIC3 Q9UHC3 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL3781938 0.82 MAOA (0.37) MAOAMAPTKDM4EMEN1LMNA
SCHEMBL3787417 0.79 MAOA (0.39) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL3790447 0.76 MAOA (0.39) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL3789287 0.76 MAOA (0.39) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL3790574 0.75 MAOA (0.40) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL3788292 0.73 MAOA (0.37) MAOAKDM4EMEN1MECP2MCL1
SCHEMBL3808739 0.73 MAOA (0.37) MAOAMAPTKDM4EMEN1ALDH1A1
SCHEMBL3781524 0.72 MAP4K4 (0.37) MAOAKDM4EMEN1MCL1CYP19A1
SCHEMBL3784580 0.72 MAOA (0.36) MAOAKDM4EMEN1ALDH1A1HPGD
SCHEMBL3786705 0.72 ALDH1A1 (0.37) MAOAMAPTKDM4EMEN1ALDH1A1

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 348/4885MAPT 3312/4885KDM4E 2606/4885

“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.