SCHEMBL3789526

SCHEMBL3789526

CC(=O)Oc1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.54
CFD P00746 1/20 0.45
CYP19A1 P11511 1/20 0.44
TNFSF11 O14788 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NR3C1 P04150 1/20 0.40
GAPDH P04406 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TUBB4A P04350 1/20 0.36

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 0.90 BACE1 (0.55) BACE1CFDCYP19A1TNFSF11ALDH1A1
SCHEMBL3783939 0.86 BACE1 (0.54) BACE1CFDCYP19A1TNFSF11ALDH1A1
SCHEMBL27788206 0.85 BACE1 (0.40) BACE1CYP19A1ALDH1A1PTGDR2TUBB4A
SCHEMBL3784462 0.85 BACE1 (0.43) BACE1TNFSF11ALDH1A1GAPDHPTGDR2
SCHEMBL3790378 0.83 NCOA1 (0.49) BACE1CFDALDH1A1KDM4EGAA
SCHEMBL3791104 0.80 ALDH1A1 (0.39) BACE1CYP19A1ALDH1A1PTGDR2GAA
SCHEMBL6247630 0.80 TSHR (0.58) CFDCYP19A1TNFSF11ALDH1A1NR3C1
SCHEMBL3784825 0.79 ALDH1A1 (0.41) BACE1CYP19A1TNFSF11ALDH1A1NR3C1
SCHEMBL27788175 0.79 PTGDR2 (0.36) BACE1CYP19A1ALDH1A1PTGDR2GAA
SCHEMBL3245649 0.78 PIM1 (0.47) CFDCYP19A1ALDH1A1NR3C1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898168-A Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2021-06-04 CN disclosed
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 925/4885CFD 3738/4885CYP19A1 176/4885

“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.