SCHEMBL3783569

SCHEMBL3783569

CC(C)(C)OC(=O)Nc1ccc(N)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.46
CNR2 P34972 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 1/20 0.40
CHRM3 P20309 6/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL3786206 0.92 CYP17A1 (0.42) BRD9CNR2MAPTRXFP1HDAC1
SCHEMBL3786623 0.91 CHRM3 (0.46) BRD9CNR2RXFP1CHRM3CYP17A1
SCHEMBL3792928 0.89 BRD9 (0.46) BRD9CNR2PTGDR2CYP1A2MAPT
SCHEMBL13633132 0.87 BRD4 (0.48) RXFP1CHRM3HDAC1CYP17A1
SCHEMBL3784001 0.85 BRD9 (0.43) BRD9CNR2CYP1A2MAPTCYP2C9
SCHEMBL3784682 0.83 TRPV1 (0.46) BRD9RXFP1CHRM3CHRM2CHRM1
SCHEMBL28444082 0.83 CHRM3 (0.52) BRD9MAPTCYP2C9CHRM3CHRM2
SCHEMBL3783577 0.83 CHRM3 (0.54) BRD9CNR2RXFP1CHRM3TACR1
SCHEMBL3786212 0.81 MAP4K4 (0.42) BRD9CNR2RXFP1CYP17A1
SCHEMBL13669997 0.80 NAMPT (0.44) CYP17A1

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 BRD9 247/4885CNR2 1524/4885PTGDR2 3672/4885

“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.