SCHEMBL1820907

SCHEMBL1820907

O=C(NCc1ccccn1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.61
HPGD P15428 5/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.52
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL11831055 0.87 SORT1 (0.77) SORT1HPGDRAB9ALMNAKDM4E
SCHEMBL27660016 0.85 HPGD (0.64) SORT1HPGDRAB9ALMNAALDH1A1
SCHEMBL740129 0.81 HPGD (0.66) HPGDRAB9ALMNAKDM4EALDH1A1
SCHEMBL1820673 0.81 HPGD (0.68) SORT1HPGDLMNAALDH1A1KMT2A
SCHEMBL18007328 0.81 SORT1 (0.53) SORT1HPGDRAB9ALMNAKDM4E
SCHEMBL13820259 0.80 RAB9A (0.58) HPGDRAB9ALMNAKDM4EALDH1A1
SCHEMBL30417260 0.79 SORT1 (0.67) SORT1RAB9AKDM4EALDH1A1NPC1
SCHEMBL1818730 0.79 SORT1 (0.67) SORT1RAB9AKDM4EALDH1A1NPC1
SCHEMBL4907748 0.78 SORT1 (0.58) SORT1HPGDRAB9ALMNAKDM4E
SCHEMBL15903134 0.76 SORT1 (0.91) SORT1HPGDRAB9ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-8710242-B2 Haloalky -substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-04-29 US disclosed
US-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US disclosed
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP disclosed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO disclosed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 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 (2 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-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides CRYAA, ACLY, CRYZ SORT1 4748/4885HPGD 3707/4885RAB9A 152/4885
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ SORT1 4748/4885HPGD 3707/4885RAB9A 152/4885

“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.