SCHEMBL3783746

SCHEMBL3783746

Nc1cc(-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
MAOA P21397 1/20 0.48
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MET P08581 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
GLO1 Q04760 1/20 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
SCHEMBL30087058 1.00 KIF11 (0.54) KIF11TSHRMAPK1MAOARXRA
SCHEMBL8741826 0.88 TSHR (0.55) KIF11TSHRMAPK1MAOARXRA
SCHEMBL716180 0.87 TSHR (0.50) KIF11TSHRMAPK1RXRARXRB
SCHEMBL29576147 0.87 TSHR (0.50) KIF11TSHRMAPK1RXRARXRB
SCHEMBL671437 0.86 TSHR (0.64) KIF11TSHRMAPK1MAOAADORA2A
SCHEMBL3785139 0.86 KIF11 (0.65) KIF11TSHRMAPK1RXRARXRB
SCHEMBL9315932 0.85 TSHR (0.48) KIF11TSHRMAPK1RXRARXRB
SCHEMBL31093906 0.85 KIF11 (0.65) KIF11TSHRRXRARXRBRXRG
SCHEMBL2138447 0.85 KIF11 (0.65) KIF11TSHRRXRARXRBRXRG
SCHEMBL15834476 0.84 MEN1 (0.50) KIF11TSHRMAPK1ALDH1A1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504902-A 5-chloro salicylamide derivatives, preparation method thereof and application thereof as medicaments 广东药科大学 2022-12-23 CN disclosed
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.