SCHEMBL3784592

SCHEMBL3784592

CCOc1ccc(N)cc1-c1ccccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 2/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.41

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
SCHEMBL3789873 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTGAATP53
Hydrochloric Acid SCHEMBL7692396 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTGAAPTGDR2
SCHEMBL396133 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTMEN1POLB
SCHEMBL3789504 0.81 PTGDR2 (0.65) ALDH1A1KDM4EMAPTGAAPTGDR2
SCHEMBL3790445 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL3789461 0.81 CYP19A1 (0.49) MAPTGAAPTGDR2L3MBTL1MAPK1
SCHEMBL3780933 0.77 MAPT (0.56) ALDH1A1KDM4EMAPTGAAPTGDR2
SCHEMBL3789274 0.77 KDM4E (0.51) ALDH1A1KDM4EMAPTGAAPTGDR2
SCHEMBL3785716 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTGAATP53
SCHEMBL30678626 0.76 MAPT (0.69) ALDH1A1KDM4EMAPTGAATP53

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 4339/4885KDM4E 2606/4885MAPT 3312/4885

“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.