SCHEMBL3787568

SCHEMBL3787568

Nc1cccc(C2C=CC=CC2(N)Sc2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL3781937 0.82 DDB1 (0.32) DDB1CRBN
SCHEMBL3783988 0.78 TP53 (0.30) DDB1CRBN
SCHEMBL3790572 0.76 MAOB (0.38) MAOACYP19A1MAOBDDB1CRBN
SCHEMBL3790442 0.75 CYP3A4 (0.35) MAOACYP19A1MAOBDDB1CRBN
SCHEMBL3781521 0.74 DDB1 (0.33) DDB1CRBN
SCHEMBL3787414 0.74 CYP3A4 (0.34) MAOACYP19A1MAOBDDB1CRBN
SCHEMBL3808736 0.73 DDB1 (0.33) DDB1CRBN
SCHEMBL3788291 0.71 DDB1 (0.33) DDB1CRBN
SCHEMBL29752430 0.71 DDB1 (0.33) DDB1CRBN
SCHEMBL3786700 0.70 DDB1 (0.32) DDB1CRBN

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 348/4885CYP19A1 176/4885MAOB 101/4885

“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.