SCHEMBL697963

SCHEMBL697963

COC(=O)c1[c]n(C)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
CFTR P13569 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PLAT P00750 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 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
SCHEMBL7042970 0.74 NPSR1 (0.34) NPC1ALDH1A1KDM4EHPGDNPSR1
SCHEMBL1930002 0.69 NPC1 (0.44) NPC1PKMGAAL3MBTL1CFTR
SCHEMBL16626084 0.68 PKM (0.50) NPC1PKMGAAL3MBTL1ALDH1A1
SCHEMBL6887159 0.67 GAA (0.68) NPC1PKMGAACFTRKDM4E
SCHEMBL3801606 0.66 POLB (0.30) POLB
SCHEMBL4625215 0.66 NPC1 (0.48) NPC1PKMGAAL3MBTL1CFTR
SCHEMBL841191 0.66 MEN1 (0.56) NPC1PKML3MBTL1ALDH1A1KDM4E
SCHEMBL697469 0.65
SCHEMBL698124 0.65
SCHEMBL1864008 0.64 NPC1 (0.49) NPC1PKMGAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423188-B1 Intermediates in the preparation of agricultural/horticultural insecticides and method for using the same MITSUI CHEMICALS AGRO INC (JP) 2021-03-10 EP disclosed
EP-1661886-B1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF MITSUI CHEMICALS AGRO INC (JP) 2016-08-10 EP disclosed
US-9101135-B2 Agricultural/horticultural insecticide and method for using the same MITSUI CHEMICALS, INC. (JP) 2015-08-11 US disclosed
US-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME MITSUI CHEMICALS, INC. (JP) 2014-10-09 US disclosed
EP-2423188-A1 Agricultural/Horticultural Insecticide and Method for Using the Same MITSUI CHEMICALS AGRO, INC. (JP) 2012-02-29 EP disclosed
EP-1661886-A1 INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF Mitsui Chemicals, Inc. (JP) 2006-05-31 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-20140303377-A1 AGRICULTURAL/HORTICULTURAL INSECTICIDE AND METHOD FOR USING THE SAME CBR3, ATL3, CNPY2 NPC1 1561/4885PKM 4460/4885GAA 3849/4885

“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.