SCHEMBL16637667

SCHEMBL16637667

CC(C)(C)C(=O)Nc1cnc(Cl)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
KCNE1 P15382 3/20 0.40
KCNQ1 P51787 3/20 0.40
CYP1A2 P05177 2/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
JUN P05412 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL16647334 0.85 NPC1 (0.44) RAB9ANPC1CYP1A2POLBCYP2C9
SCHEMBL14005069 0.79 RAB9A (0.40) RAB9ANPC1ALDH1A1KDM4EMITF
SCHEMBL27846675 0.78 RAB9A (0.39) RAB9ANPC1JUNNFKB1NFKB2
SCHEMBL9649 0.77 KDM4E (0.38) RAB9ANPC1ALDH1A1KDM4EMITF
SCHEMBL17323697 0.76 KDM4E (0.39) RAB9ANPC1CYP1A2CYP2C9ALDH1A1
SCHEMBL15919553 0.72 KDM4E (0.40) RAB9ANPC1ALDH1A1KDM4EMITF
SCHEMBL15326399 0.72 PDK1 (0.40) KCNQ3KCNQ2KCNE1KCNQ1JUN
SCHEMBL28673250 0.72 KCNQ3 (0.35) RAB9AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL12812103 0.72 HTT (0.48) RAB9AALDH1A1KDM4EMITFHPGD
SCHEMBL31435380 0.71 LMNA (0.47) KCNQ3KCNQ2KCNE1KCNQ1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 CN disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
EP-3060558-B1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-12 EP disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
US-20160251332-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-01 US disclosed
EP-3060558-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES Syngenta Participations AG (CH) 2016-08-31 EP disclosed
EP-3054773-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-08-17 EP disclosed
WO-2015059262-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-30 WO disclosed
WO-2015059262-A1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-04-30 WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 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 (4 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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 RAB9A 1800/4885NPC1 4826/4885KCNQ3 1882/4885
US-20160251332-A1 Herbicidal Compounds RDX, CBR3, DDT RAB9A 963/4885NPC1 4460/4885KCNQ3 1392/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 RAB9A 1754/4885NPC1 4824/4885KCNQ3 1834/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 RAB9A 1800/4885NPC1 4826/4885KCNQ3 1882/4885

“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.