SCHEMBL3786320

SCHEMBL3786320

CC(=O)Oc1ccc(-c2ccccc2N)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ELANE P08246 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
BACE1 P56817 2/20 0.45
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ACHE P22303 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL3786259 0.90 MAPT (0.49) LMNAELANECYP3A4MAPTALDH1A1
SCHEMBL3790333 0.85 BACE1 (0.59) LMNAELANECYP3A4MAPTALDH1A1
SCHEMBL28261932 0.82 KMT2A (0.50) MAPTALDH1A1POLBL3MBTL1MEN1
SCHEMBL3785193 0.81 ELANE (0.51) LMNAELANEMAPTALDH1A1BACE1
SCHEMBL3793282 0.81 LMNA (0.51) LMNACYP3A4MAPTALDH1A1MAPK1
SCHEMBL19084240 0.80 BACE1 (0.56) LMNAELANECYP3A4MAPTALDH1A1
SCHEMBL5045614 0.80 ALDH1A1 (0.39) LMNAMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3785527 0.79 BACE1 (0.64) LMNAELANECYP3A4MAPTALDH1A1
SCHEMBL3783732 0.79 CYP19A1 (0.49) LMNACYP3A4MAPTALDH1A1SMN1; SMN2
SCHEMBL3787833 0.78 GAPDH (0.46) LMNACYP3A4MAPTALDH1A1SMN1; SMN2

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 3250/4885ELANE 1798/4885CYP3A4 177/4885

“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.