SCHEMBL16653286

SCHEMBL16653286

C#CCN(C(=O)C1CC1)c1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 2/20 0.37
VCP P55072 1/20 0.37
TP53 P04637 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL16652927 0.90 KDM4E (0.42) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL16652998 0.88 CYP3A4 (0.38) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL21182481 0.85 KDM4E (0.47) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL13048914 0.83 MAPT (0.45) CYP3A4MAPTKDM4EALDH1A1HSD17B10
SCHEMBL16652414 0.83 CYP3A4 (0.39) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL17589807 0.83 KDM4E (0.51) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL16653370 0.82 KDM4E (0.38) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL16653522 0.81 CYP1A2 (0.38) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL16652858 0.81 CYP3A4 (0.39) CYP3A4MAPTKDM4EALDH1A1MEN1
SCHEMBL16661890 0.81 RAB9A (0.42) CYP3A4KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108812681-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2021-02-26 CN disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
WO-2015061151-A9 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2016-04-21 WO disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
WO-2015061151-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 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-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 CYP3A4 2564/4885MAPT 4412/4885KDM4E 1162/4885

“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.