SCHEMBL3787213

SCHEMBL3787213

CC(=O)Oc1ccc(-c2ccc(N)cc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.53
CYP19A1 P11511 1/20 0.44
NR3C1 P04150 1/20 0.43
BACE1 P56817 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.40
MAOB P27338 1/20 0.39
GAPDH P04406 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CREBBP Q92793 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28661214 0.93 CFD (0.59) CFDNR3C1BACE1ALDH1A1GAA
SCHEMBL3784778 0.88 CFD (0.56) CFDNR3C1BACE1ALDH1A1GAA
SCHEMBL3787915 0.86 CFD (0.49) CFDCYP19A1BACE1ALDH1A1GAA
SCHEMBL987450 0.85 ALDH1A1 (0.47) CFDCYP19A1NR3C1BACE1ALDH1A1
SCHEMBL3785758 0.85 CFD (0.49) CFDCYP19A1NR3C1BACE1ALDH1A1
SCHEMBL15251121 0.85 CFD (0.51) CFDNR3C1BACE1ALDH1A1GAA
SCHEMBL3785015 0.80 ALDH1A1 (0.37) CFDCYP19A1ALDH1A1GAATSHR
SCHEMBL3783939 0.79 BACE1 (0.54) CFDCYP19A1NR3C1BACE1ALDH1A1
SCHEMBL3781675 0.79 CFD (0.45) CFDNR3C1BACE1ALDH1A1GAA
SCHEMBL27827030 0.79 ALDH1A1 (0.44) CFDCYP19A1NR3C1ALDH1A1GAA

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 CFD 3738/4885CYP19A1 176/4885NR3C1 1045/4885

“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.