SCHEMBL854960

SCHEMBL854960

CC(=O)OCc1ccc(C2=NCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 5/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
KIT P10721 1/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ORAI1 Q96D31 1/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL854638 0.92 NOTUM (0.35) NOTUMGAAL3MBTL1EPHX2NR1H4
SCHEMBL854959 0.91 NOTUM (0.35) NOTUMGAAL3MBTL1EPHX2NR1H4
SCHEMBL861504 0.91 NOTUM (0.40) NOTUML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL854947 0.91 NOTUM (0.32) NOTUML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL928244 0.91 NOTUM (0.34) NOTUMGAAL3MBTL1EPHX2NR1H4
SCHEMBL855913 0.91 NOTUM (0.36) NOTUMGAAL3MBTL1EPHX2NR1H4
SCHEMBL855418 0.90 NOTUM (0.36) NOTUMGAAL3MBTL1EPHX2NR1H4
SCHEMBL854530 0.89 NOTUM (0.33) NOTUMSMN1; SMN2KITKMT2AMEN1
SCHEMBL854620 0.86 NOTUM (0.34) NOTUML3MBTL1KITALDH1A1ALOX15
SCHEMBL854773 0.84 NOTUM (0.41) NOTUML3MBTL1EPHX2NR1H4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
EP-2242739-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2014-11-12 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-8304371-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-11-06 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
US-20110003690-A1 INSECTICIDAL ARYLPYRROLINES BAY CROPSCIENCE AG (DE) 2011-01-06 US disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO disclosed
EP-2242739-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 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 (3 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-20110003690-A1 INSECTICIDAL ARYLPYRROLINES DDT, ACHE, CYP1A2 NOTUM 748/4885GAA 1948/4885L3MBTL1 1028/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NOTUM 803/4885GAA 2202/4885L3MBTL1 1056/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NOTUM 803/4885GAA 2202/4885L3MBTL1 1056/4885

“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.