SCHEMBL18705673

SCHEMBL18705673

CC(C#N)NC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.43
NTRK1 P04629 1/20 0.41
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.39
RORC P51449 1/20 0.39
KLRK1 P26718 8/20 0.38
MICA Q29983 8/20 0.38
RAET1L Q5VY80 8/20 0.38
DGAT2 Q96PD7 1/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL4394775 0.85 NPC1 (0.56) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL28163757 0.81 POLB (0.54) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL22048232 0.79 NPC1 (0.50) NPC1POLBALDH1A1NTRK1MAPT
Flonicamid SCHEMBL29359080 0.78 ALDH1A1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
Flonicamid SCHEMBL26954 0.78 ALDH1A1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL18705566 0.78 NPC1 (0.49) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL3759581 0.77 POLB (0.59) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL21571478 0.77 NPC1 (0.60) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL29100737 0.77 NPC1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL5106559 0.77 NPC1 (0.53) NPC1POLBALDH1A1NTRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3659438-A1 COMPOUNDS AND COMPOSITIONS HAVING KNOCK-DOWN OR BLOOD FEED INHIBITION ACTIVITY AGAINST INSECT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2020-06-03 EP disclosed
US-20190350203-A1 COMPOUNDS AND COMPOSITIONS HAVING KNOCK-DOWN OR BLOOD FEED INHIBITION ACTIVITY AGAINST INSECT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-21 US disclosed
US-20170094972-A1 Compounds and Compositions Having Knock-Down Activity Against Insect Pests SYNGENTA PARTICIPATIONS AG (CH) 2017-04-06 US disclosed
US-20170094972-A1 Compounds and Compositions Having Knock-Down Activity Against Insect Pests SYNGENTA PARTICIPATIONS AG (CH) 2017-04-06 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 (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-20170094972-A1 Compounds and Compositions Having Knock-Down Activity Against Insect Pests DDT, AGO2, L3MBTL4 NPC1 1539/4885POLB 4237/4885ALDH1A1 3329/4885
US-20190350203-A1 COMPOUNDS AND COMPOSITIONS HAVING KNOCK-DOWN OR BLOOD FEED INHIBITION ACTIVITY AGAINST INSECT PESTS KISS1R, VIP, KDM4E NPC1 1823/4885POLB 4505/4885ALDH1A1 4146/4885

“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.