SCHEMBL20772453

SCHEMBL20772453

FC(F)(F)c1ccncc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
LATS1 O95835 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MAPT P10636 2/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CHUK O15111 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL805458 0.86 LATS1 (0.40) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL12341054 0.86 LATS1 (0.40) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL1973448 0.83 P2RX1 (0.41) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL29788281 0.83 P2RX1 (0.41) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL27158664 0.80 TDO2 (0.39) KIF11NPC1POLBL3MBTL1LATS1
SCHEMBL13373493 0.80 KIF11 (0.38) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL2145747 0.80 LOXL2 (0.43) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL27896462 0.80 HDAC8 (0.38) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL5700139 0.78 KIF11 (0.37) KIF11NPC1POLBALDH1A1L3MBTL1
SCHEMBL18403106 0.78 KIF11 (0.37) KIF11NPC1POLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
WO-2019043635-A1 D-AMINO ACID OXIDASE ACTIVITY INHIBITING COMPOUNDS RICHTER GEDEON NYRT. (HU) 2019-03-07 WO 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 (2 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-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 KIF11 4445/4885NPC1 1039/4885POLB 2972/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 KIF11 4441/4885NPC1 1218/4885POLB 3134/4885

“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.