SCHEMBL3784523

SCHEMBL3784523

CCOc1cccc(N)c1-c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAP4K4 O95819 5/20 0.43
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.40
S1PR1 P21453 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL3793754 0.85 ALDH1A1 (0.63) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3786475 0.83 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3785992 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTHSD17B10MEN1
SCHEMBL3792778 0.80 MAOB (0.54) MAPTMAPK1L3MBTL1SMN1; SMN2GAA
SCHEMBL3793105 0.79 PTPRC (0.55) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3785868 0.79 MAPT (0.56) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3783982 0.79 ALDH1A1 (0.77) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3787533 0.77 TP53 (0.50) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3790341 0.75 MAPT (0.51) ALDH1A1TP53CYP3A4KDM4EMAPT
SCHEMBL3789274 0.75 KDM4E (0.51) ALDH1A1TP53CYP3A4KDM4EMAPT

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 4339/4885TP53 2819/4885CYP3A4 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.