SCHEMBL3789534

SCHEMBL3789534

Nc1cccc(-c2ccc(CO)cc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOA P21397 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAP4K4 O95819 2/20 0.41
PRKCI P41743 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FYN P06241 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 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
SCHEMBL3790924 0.86 KDM4E (0.46) MAPTKDM4EALDH1A1MAOACYP19A1
SCHEMBL3786057 0.85 ALDH1A1 (0.50) ALDH1A1PRKCI
SCHEMBL3786152 0.84 CSNK2A1 (0.46) MAOACYP19A1CYP3A4CYP17A1CYP11B1
SCHEMBL3784988 0.82 CYP3A4 (0.39) ALDH1A1MAOACYP19A1CYP3A4CYP17A1
SCHEMBL10717407 0.81 PLA2G10 (0.48) MAPTKDM4EMAOA
SCHEMBL3785729 0.80 PRKCI (0.58) MAPTKDM4EALDH1A1MAOACYP19A1
SCHEMBL6011321 0.79 MAOA (0.54) MAPTKDM4EALDH1A1MAOACYP3A4
SCHEMBL3786978 0.78 MAOA (0.59) MAPTKDM4EALDH1A1MAOACYP19A1
SCHEMBL358974 0.77 PRKCI (0.44) ALDH1A1CYP3A4PRKCIFYNCHRNB4
SCHEMBL3785174 0.77 CA12 (0.54) ALDH1A1MAOACYP3A4MAP4K4CNR1

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 MAPT 3312/4885KDM4E 2606/4885ALDH1A1 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.