SCHEMBL1820539

SCHEMBL1820539

O=C(NC1CC1)c1ccc(I)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
P2RX7 Q99572 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
CNR1 P21554 3/20 0.49
SLC6A12 P48065 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
SMYD3 Q9H7B4 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL17373238 0.87 HPGD (0.58) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL29077678 0.83 HPGD (0.71) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL28378463 0.82 HPGD (0.69) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL4574293 0.81 HPGD (0.64) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL3225623 0.81 HPGD (0.55) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL3233932 0.81 NPC1 (0.53) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL4516890 0.81 HPGD (0.68) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL21090793 0.81 HPGD (0.48) HPGDNPC1RAB9AP2RX7CNR1
SCHEMBL10282412 0.81 RAB9A (0.86) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL12672349 0.79 HPGD (0.66) HPGDNPC1RAB9AP2RX7SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741222-B Haloalkyl-substituted amides as insecticides and acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-02 CN disclosed
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
US-8889878-B2 Haloalky-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2014-11-18 US disclosed
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
US-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 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
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
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 US 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 HPGD 3707/4885NPC1 2306/4885RAB9A 152/4885
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ HPGD 3707/4885NPC1 2306/4885RAB9A 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.