SCHEMBL3785983

SCHEMBL3785983

Cc1ccc(N)c(C)c1-c1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP3A4 P08684 4/20 0.48
TSHR P16473 2/20 0.48
PIK3CA P42336 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
ADORA2A P29274 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
HBB P68871 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FGR P09769 1/20 0.40
PIM1 P11309 1/20 0.40
MAOA P21397 1/20 0.40
CSNK1A1 P48729 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
SCHEMBL31607639 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL29244090 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL3790039 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL21155323 0.79 ALDH1A1 (0.57) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL1357302 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL6812287 0.78 CYP3A4 (0.50) ALDH1A1CYP3A4TSHRPIK3CATDP1
SCHEMBL3794845 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL6571968 0.77 CASP1 (0.52) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL11521223 0.76 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA
SCHEMBL3786568 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP3A4TSHRPIK3CA

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 4339/4885L3MBTL1 3838/4885CYP3A4 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.