SCHEMBL855815

SCHEMBL855815

CC(=O)OCc1ccc(C2=NCC(c3cc(Br)cc(Br)c3)(C(F)(F)F)C2)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KIT P10721 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
SCHEMBL854530 0.90 NOTUM (0.33) CACNA1HSMN1; SMN2KIT
SCHEMBL925910 0.90 CACNA1H (0.32) CACNA1HKIT
SCHEMBL854962 0.89 NOTUM (0.33) CACNA1HNPC1RAB9AKIT
SCHEMBL926339 0.89 NOTUM (0.34) CACNA1HKIT
SCHEMBL854627 0.88 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KIT
SCHEMBL855699 0.86 NOTUM (0.36) NPC1RAB9ASMN1; SMN2KIT
SCHEMBL928244 0.86 NOTUM (0.34) NPC1RAB9ASMN1; SMN2KIT
SCHEMBL854947 0.81 NOTUM (0.32) NPC1RAB9ASMN1; SMN2KIT
SCHEMBL854897 0.79 RXRA (0.31) NPC1RAB9ASMN1; SMN2KIT
SCHEMBL854960 0.79 NOTUM (0.35) NPC1RAB9ASMN1; SMN2KIT

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 CACNA1H 2052/4885NPC1 3785/4885RAB9A 483/4885
US-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CACNA1H 2113/4885NPC1 3730/4885RAB9A 436/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 CACNA1H 2113/4885NPC1 3730/4885RAB9A 436/4885

“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.