SCHEMBL3783522

SCHEMBL3783522

COc1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CYP3A4 P08684 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APP P05067 1/20 0.50
MAOA P21397 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
KIT P10721 2/20 0.47
NTRK1 P04629 1/20 0.47
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
FYN P06241 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL980277 0.87 NTRK1 (0.58) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL6863931 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31607677 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30839809 0.86 ALDH1A1 (0.67) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3784708 0.85 ALDH1A1 (0.74) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL330530 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL980044 0.84 MAP4K4 (0.51) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL5849709 0.84 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Hydrochloric Acid SCHEMBL1143402 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL3793239 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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 ALDH1A1 4339/4885CYP3A4 177/4885TDP1 4196/4885

“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.