SCHEMBL3787217

SCHEMBL3787217

CC(=O)Oc1ccc(N)cc1-c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
BACE1 P56817 3/20 0.43
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 3/20 0.42
ALOX5 P09917 2/20 0.42
CFD P00746 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 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
SCHEMBL3785067 0.89 PTGDR2 (0.61) PTGDR2BACE1ADORA3ADORA2ACFD
SCHEMBL27577072 0.88 PTGDR2 (0.45) PTGDR2BACE1ADORA3ADORA2AALOX5
SCHEMBL3806882 0.88 ADORA3 (0.47) BACE1ADORA3ADORA2ATUBB4ATUBB
SCHEMBL3784462 0.88 BACE1 (0.43) PTGDR2BACE1ADORA3ADORA2ATUBB4A
SCHEMBL3783939 0.85 BACE1 (0.54) PTGDR2BACE1ADORA3ADORA2AALOX5
SCHEMBL3786190 0.84 ADORA3 (0.44) BACE1ADORA3ADORA2ATUBB4ATUBB
SCHEMBL3792023 0.82 PTGDR2 (0.47) PTGDR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3785758 0.81 CFD (0.49) BACE1ADORA3ADORA2ACFDMAPT
SCHEMBL17744892 0.79 PTGDR2 (0.47) PTGDR2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3789262 0.78 FYN (0.51) PTGDR2TUBB4ATUBBTUBA3CTUBA1B

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 PTGDR2 3672/4885BACE1 925/4885ADORA3 1301/4885

“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.