SCHEMBL3787150

SCHEMBL3787150

Nc1ccc(-c2cc(C(F)(F)F)ccc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.61
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 4/20 0.39
FEN1 P39748 1/20 0.38
MPL P40238 1/20 0.38
PTGS1 P23219 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL28411885 0.89 KIF11 (0.68) KIF11ALDH1A1MAOBPTGS1
SCHEMBL1578151 0.89 KIF11 (0.61) KIF11TSHRMAPK1GAAGLA
Hydrochloric Acid SCHEMBL6570787 0.87 KIF11 (0.59) KIF11TSHRMAPK1GAAGLA
SCHEMBL18586254 0.87 KIF11 (0.44) KIF11TSHRMAPK1ALDH1A1KDM4E
SCHEMBL12493701 0.85 PTGDR2 (0.50) KIF11TSHRMAPK1ALDH1A1KDM4E
SCHEMBL4158192 0.85 CYP3A4 (0.48) KIF11TSHRMAPK1ALDH1A1KDM4E
SCHEMBL3788720 0.85 KIF11 (0.61) KIF11TSHRMAPK1ALDH1A1KDM4E
SCHEMBL3792211 0.85 KIF11 (0.52) KIF11TSHRMAPK1ALDH1A1KDM4E
SCHEMBL1827783 0.83 KIF11 (0.59) KIF11TSHRMAPK1GAAGLA
SCHEMBL2785468 0.81 KIF11 (0.57) KIF11TSHRMAPK1ALDH1A1MAPT

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 3999/4885TSHR 1688/4885MAPK1 4726/4885

“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.