SCHEMBL3780962

SCHEMBL3780962

CNC(=O)c1cccc(Cl)c1C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.50
PLK1 P53350 1/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PBRM1 Q86U86 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.42
JAK2 O60674 1/20 0.42
CYP3A4 P08684 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL3477262 0.89 PBRM1 (0.53) DOT1LPLK1GAAALDH1A1POLB
SCHEMBL4157657 0.88 DOT1L (0.56) DOT1LGAAALDH1A1POLBTAS1R3
SCHEMBL7457599 0.87 KDM4E (0.47) DOT1LPLK1GAAALDH1A1POLB
SCHEMBL27497363 0.87 DOT1L (0.47) DOT1LPLK1GAAALDH1A1POLB
SCHEMBL20275216 0.86 ALDH1A1 (0.46) DOT1LPLK1ALDH1A1POLBL3MBTL1
SCHEMBL4143751 0.82 TAS1R3 (0.60) PLK1GAAALDH1A1POLBTAS1R3
SCHEMBL883582 0.82 POLB (0.69) PLK1GAAALDH1A1POLBL3MBTL1
SCHEMBL30452120 0.82 POLB (0.69) PLK1GAAALDH1A1POLBL3MBTL1
SCHEMBL10126900 0.81 TAS1R3 (0.54) PLK1GAAALDH1A1POLBL3MBTL1
SCHEMBL3786271 0.79 PLK1 (0.57) PLK1GAAALDH1A1POLBL3MBTL1

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 DOT1L 2956/4885PLK1 799/4885GAA 1755/4885

“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.