SCHEMBL3784462

SCHEMBL3784462

CC(=O)Oc1cc(N)ccc1-c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41
TUBA1A Q71U36 3/20 0.41
TUBA1C Q9BQE3 3/20 0.41
TUBB6 Q9BUF5 3/20 0.41
TUBB2B Q9BVA1 3/20 0.41
TUBB1 Q9H4B7 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
TNFSF11 O14788 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
SCHEMBL3782026 0.89 BACE1 (0.55) BACE1ADORA3ADORA2AADORA1TNFSF11
SCHEMBL3806882 0.88 ADORA3 (0.47) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3787217 0.88 PTGDR2 (0.49) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3789526 0.85 BACE1 (0.54) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3786190 0.84 ADORA3 (0.44) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3781473 0.82 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3787833 0.79 GAPDH (0.46) BACE1ADORA2AGAPDHMAPTALDH1A1
SCHEMBL3792045 0.78 CYP3A4 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3786040 0.78 MCL1 (0.45) BACE1ADORA3ADORA2AMAPTALDH1A1
SCHEMBL3784825 0.78 ALDH1A1 (0.41) BACE1TNFSF11BRD4ALDH1A1MAOB

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 925/4885TUBB4A 2007/4885TUBB 1532/4885

“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.