SCHEMBL3788352

SCHEMBL3788352

Nc1cccc(-c2ccc(N)c(Oc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
CYP3A4 P08684 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
TNK2 Q07912 1/20 0.41
MAP4K4 O95819 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL25135236 0.92 MAOB (0.58) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL30394034 0.91 CYP3A4 (0.47) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL3782732 0.90 CYP3A4 (0.49) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL30697305 0.89 ALDH1A1 (0.52) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL5014782 0.89 ALDH1A1 (0.52) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL30393911 0.88 ALDH1A1 (0.50) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL3785409 0.87 CYP1A2 (0.56) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL3793152 0.86 MAOA (0.53) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL31019387 0.86 MAOA (0.53) MAOAMAOBCYP3A4NCOA1NCOA3
SCHEMBL25135237 0.85 NCOA1 (0.57) MAOACYP3A4NCOA1NCOA3CYP1A2

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 348/4885MAOB 101/4885CYP3A4 177/4885

“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.