SCHEMBL854959

SCHEMBL854959

CC(=O)OCc1ccc(C2=NCC(c3cc(Cl)nc(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
L3MBTL1 Q9Y468 5/20 0.32
POLB P06746 1/20 0.32
KIT P10721 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 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 0.91 NOTUM (0.35) NOTUML3MBTL1POLBKITEPHX2
SCHEMBL854960 0.91 NOTUM (0.35) NOTUML3MBTL1POLBKITEPHX2
SCHEMBL855417 0.91 NOTUM (0.39) NOTUML3MBTL1KITSMN1; SMN2NPC1
SCHEMBL855776 0.91 NOTUM (0.32) NOTUML3MBTL1KITSMN1; SMN2NPC1
SCHEMBL855418 0.91 NOTUM (0.36) NOTUML3MBTL1KITEPHX2NR1H4
SCHEMBL928244 0.90 NOTUM (0.34) NOTUML3MBTL1POLBKITEPHX2
SCHEMBL855913 0.90 NOTUM (0.36) NOTUML3MBTL1POLBKITEPHX2
SCHEMBL854962 0.88 NOTUM (0.33) NOTUMKITNPC1RAB9A
SCHEMBL854620 0.85 NOTUM (0.34) NOTUML3MBTL1KITALDH1A1ALOX15
SCHEMBL855495 0.84 NOTUM (0.35) NOTUMKITORAI1

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 5 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
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 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 (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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 NOTUM 803/4885L3MBTL1 1056/4885POLB 4571/4885

“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.