SCHEMBL3787458

SCHEMBL3787458

CC(=O)Oc1ccc(N)c(-c2cccc(N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
GAPDH P04406 2/20 0.46
LMNA P02545 2/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
ADORA2A P29274 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL3787833 0.88 GAPDH (0.46) BACE1GAPDHLMNACYP3A4GAA
SCHEMBL3785527 0.86 BACE1 (0.64) BACE1LMNACYP3A4GAANPC1
SCHEMBL3786256 0.83 CYP19A1 (0.49) BACE1GAPDHLMNACYP3A4GAA
SCHEMBL3790351 0.83 BRD4 (0.36) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3789424 0.83 LMNA (0.56) BACE1GAPDHLMNACYP3A4GAA
SCHEMBL3783548 0.81 LMNA (0.65) LMNACYP3A4GAAPOLBMAPT
SCHEMBL3790187 0.80 CYP3A4 (0.58) CYP3A4NPC1POLBMAPTRAB9A
SCHEMBL363290 0.79 CYP3A4 (0.63) LMNACYP3A4ADORA2AACHEMEN1
SCHEMBL3793282 0.79 LMNA (0.51) BACE1GAPDHLMNACYP3A4GAA
SCHEMBL3786259 0.78 MAPT (0.49) BACE1LMNACYP3A4GAANPC1

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 BACE1 925/4885GAPDH 2728/4885LMNA 3250/4885

“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.