SCHEMBL17802447

SCHEMBL17802447

O=C(Nc1ncc(Br)cc1Br)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
KCNH2 Q12809 1/20 0.57
RAB9A P51151 6/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HIF1A Q16665 1/20 0.54
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KCNK3 O14649 1/20 0.51
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15045376 0.80 NPC1 (0.56) NPC1KCNH2RAB9ASMN1; SMN2LMNA
SCHEMBL17544393 0.78 GAA (0.60) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL27588670 0.78 HDAC1 (0.63) NPC1RAB9AGAALMNAMAPT
SCHEMBL22574239 0.77 LMNA (0.69) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL23410523 0.76 MAPK8 (0.62) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL17801256 0.76 KMT2A (0.63) NPC1RAB9AGAALMNAMAPT
SCHEMBL29899004 0.76 MAPK8 (0.62) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL15043008 0.76 KMT2A (0.58) NPC1KCNH2RAB9ASMN1; SMN2MAPT
SCHEMBL10131874 0.75 ROCK2 (0.73) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL7110861 0.75 AAK1 (0.72) GAAMAPTHDAC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138254-B2 Bicyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3227302-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087373-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 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 (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-10138254-B2 Bicyclic compounds as pest control agents DDT, BCHE, BAK1 NPC1 1939/4885KCNH2 1547/4885RAB9A 736/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NPC1 1939/4885KCNH2 1547/4885RAB9A 736/4885

“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.