SCHEMBL17801307

SCHEMBL17801307

O=C(Nc1cnc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.64
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 1/20 0.55
HDAC2 Q92769 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL17801185 0.84 KCNMA1 (0.55) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31171396 0.80 HDAC3 (0.68) KCNMA1NPC1RAB9AL3MBTL1TSHR
SCHEMBL403854 0.80 TSHR (0.63) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23330651 0.78 HTT (0.58) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17801256 0.76 KMT2A (0.63) KCNMA1NPC1RAB9AL3MBTL1HDAC1
SCHEMBL17803406 0.76 KCNMA1 (0.58) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17544393 0.76 GAA (0.60) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL30908239 0.76 TDP1 (0.59) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL14094077 0.75 KCNMA1 (0.71) KCNMA1L3MBTL1HDAC1HDAC3HDAC2
SCHEMBL3951598 0.75 KCNMA1 (0.60) KCNMA1NPC1RAB9ASMN1; SMN2L3MBTL1

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 KCNMA1 3420/4885NPC1 2214/4885RAB9A 524/4885

“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.