SCHEMBL3788720

SCHEMBL3788720

Nc1ccc(-c2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.61
FEN1 P39748 3/20 0.51
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 2/20 0.40
CFTR P13569 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL6011433 0.89 KIF11 (0.61) KIF11FEN1TSHRGAAGLA
Hydrochloric Acid SCHEMBL6011297 0.87 KIF11 (0.59) KIF11FEN1TSHRGAAGLA
SCHEMBL3787150 0.85 KIF11 (0.61) KIF11FEN1ALDH1A1KDM4EPKM
SCHEMBL2964383 0.85 ALDH1A1 (0.53) KIF11FEN1ALDH1A1KDM4EPKM
SCHEMBL6138448 0.83 ALDH1A1 (0.53) KIF11FEN1ALDH1A1KDM4EPKM
SCHEMBL14054473 0.83 KIF11 (0.59) KIF11FEN1TSHRGAAGLA
SCHEMBL4661325 0.81 KIF11 (0.57) KIF11FEN1ALDH1A1KDM4ETSHR
SCHEMBL16529012 0.81 KIF11 (0.57) KIF11FEN1ALDH1A1KDM4EPKM
SCHEMBL1242533 0.81 FEN1 (0.46) KIF11FEN1ALDH1A1KDM4EPKM
SCHEMBL3784775 0.80 TSHR (0.58) KIF11FEN1ALDH1A1KDM4EPKM

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 KIF11 3999/4885FEN1 2139/4885ALDH1A1 4339/4885

“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.