SCHEMBL17801256

SCHEMBL17801256

O=C(Nc1cnc(Br)cc1Br)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HTT P42858 2/20 0.56
HDAC6 Q9UBN7 1/20 0.55
LMNA P02545 1/20 0.55
HIF1A Q16665 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KCNMA1 Q12791 1/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL30908553 0.78 GAA (0.64) KMT2AMAPTGAANPC1RAB9A
SCHEMBL17803405 0.77 GAA (0.60) KMT2AMAPTGAANPC1RAB9A
SCHEMBL17544393 0.77 GAA (0.60) KMT2AMAPTGAANPC1RAB9A
SCHEMBL27588670 0.77 HDAC1 (0.63) KMT2AMAPTGAANPC1RAB9A
SCHEMBL17802447 0.76 NPC1 (0.57) KMT2AMAPTGAANPC1RAB9A
SCHEMBL17801307 0.76 KCNMA1 (0.64) KMT2ANPC1RAB9AHDAC1HDAC3
SCHEMBL17801696 0.75 GAA (1.00) KMT2AMAPTGAANPC1RAB9A
SCHEMBL28820749 0.75 HDAC1 (0.69) MAPTGAAHDAC1HDAC3HDAC2
SCHEMBL23410523 0.74 MAPK8 (0.62) GAANPC1RAB9AHDAC1HDAC6
SCHEMBL29899004 0.74 MAPK8 (0.62) GAANPC1RAB9AHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087417-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2016087417-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 (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-20180282347-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 KMT2A 1850/4885MAPT 3026/4885GAA 2397/4885

“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.