SCHEMBL3790473

SCHEMBL3790473

NCc1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
CYP3A4 P08684 2/20 0.49
CYP19A1 P11511 2/20 0.49
CYP17A1 P05093 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAP4K4 O95819 2/20 0.48
PNMT P11086 1/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 2/20 0.48
TAAR1 Q96RJ0 3/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAOB P27338 2/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL30661714 1.00 MAOA (0.58) MAOACYP3A4CYP19A1CYP17A1CYP11B1
SCHEMBL2134718 0.91 MAOA (0.62) MAOACYP3A4CYP19A1CYP17A1CYP11B1
SCHEMBL3791745 0.89 LOXL2 (0.60) PNMTENPP2LOXL2TAAR1NOS3
SCHEMBL3794625 0.88 MAOA (0.54) MAOACYP3A4CYP19A1CYP17A1CYP11B1
SCHEMBL3787922 0.87 TAAR1 (0.64) MAOACYP3A4CYP19A1CYP17A1CYP11B1
SCHEMBL29498392 0.86
SCHEMBL29267773 0.86 MAOB (0.60) MAOACYP3A4CYP19A1CYP11B1CYP11B2
SCHEMBL79460 0.86
SCHEMBL3720966 0.85 LOXL2 (0.56) MAOACYP3A4PNMTENPP2LOXL2
Hydrochloric Acid SCHEMBL31716352 0.85 TAAR1 (0.61) MAOACYP3A4CYP19A1CYP17A1CYP11B1

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 177/4885CYP19A1 176/4885

“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.