SCHEMBL3785758

SCHEMBL3785758

CC(=O)Oc1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.49
MCL1 Q07820 1/20 0.45
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
MAP4K4 O95819 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BACE1 P56817 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR3C1 P04150 1/20 0.40
MAOB P27338 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
SCHEMBL28661214 0.88 CFD (0.59) CFDGAALMNACYP3A4BACE1
SCHEMBL3786040 0.88 MCL1 (0.45) CFDMCL1GAALMNAMAOA
SCHEMBL3784778 0.87 CFD (0.56) CFDGAALMNABACE1MAPT
SCHEMBL3787213 0.85 CFD (0.53) CFDGAALMNACYP3A4CYP19A1
SCHEMBL3785270 0.82 MCL1 (0.43) MCL1GAALMNAMAOAMAP4K4
SCHEMBL987450 0.81 ALDH1A1 (0.47) CFDGAALMNACYP19A1BACE1
SCHEMBL3787217 0.81 PTGDR2 (0.49) CFDGAAMAOABACE1MAPT
SCHEMBL3783548 0.81 LMNA (0.65) MCL1GAALMNAMAOACA12
SCHEMBL15251121 0.81 CFD (0.51) CFDMCL1GAALMNACYP3A4
SCHEMBL3790372 0.80 SMN1; SMN2 (0.43) CFDMCL1GAALMNAMAOA

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 3738/4885MCL1 3100/4885GAA 1755/4885

“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.