SCHEMBL21399301

SCHEMBL21399301

N#Cc1cccc(-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1-c1cc(C(F)(F)F)ccc1-n1c2ccccc2c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
ICMT O60725 3/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
PTPN5 P54829 1/20 0.31
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL20848990 0.96 KIF11 (0.33) KIF11ICMTGRIN1GRIN2BKDM4E
SCHEMBL20849274 0.96 ICMT (0.32) ICMTGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL22985549 0.94 ALOX5AP (0.36) KIF11ICMTGRIN1GRIN2BKDM4E
SCHEMBL20849296 0.93 TACR1 (0.33) ICMTGRIN1GRIN2BKDM4ESMN1; SMN2
SCHEMBL21399246 0.93 SMN1; SMN2 (0.34) KIF11GRIN1GRIN2BKDM4ETSHR
SCHEMBL20849273 0.93 PTPN5 (0.34) ICMTGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL21399612 0.93 PTPN5 (0.33) KIF11GRIN1GRIN2BKDM4ETSHR
SCHEMBL20848983 0.92 KDM4E (0.34) KIF11ICMTGRIN1GRIN2BKDM4E
SCHEMBL20849272 0.92 AR (0.34) ICMTGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL20849221 0.92 TACR1 (0.38) KIF11KDM4EPTPN5TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 KIF11 4281/4885ICMT 1483/4885GRIN1 1367/4885

“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.