SCHEMBL3781402

SCHEMBL3781402

CC(=O)Oc1cccc(-c2ccc(N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 1/20 0.54
ADORA2A P29274 1/20 0.52
CYP19A1 P11511 1/20 0.50
ACHE P22303 1/20 0.50
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
GAPDH P04406 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.45
BACE1 P56817 1/20 0.45

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
SCHEMBL28032593 0.89 LMNA (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL3789424 0.88 LMNA (0.56) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL4607313 0.88 LMNA (0.71) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL4446422 0.86 MAPT (0.67) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL28743154 0.85 LMNA (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL8523753 0.85 CYP3A4 (0.66) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL8469858 0.83 LMNA (0.60) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL3783548 0.83 LMNA (0.65) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL3790234 0.82 HSD17B10 (0.63) LMNAGAAMAPTTDP1CYP3A4
SCHEMBL3788237 0.81 CYP19A1 (0.55) LMNAGAAMAPTTDP1CYP3A4

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 LMNA 3250/4885GAA 1755/4885MAPT 3312/4885

“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.