SCHEMBL18919554

SCHEMBL18919554

Clc1ccc(CNc2ncccn2)cn1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
KDM4E B2RXH2 3/20 0.69
MAPT P10636 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2685939 0.83 CXCR4 (0.69) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL30862011 0.80 KDM4E (0.72) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL13090580 0.80 KDM4E (0.72) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL12674819 0.80 KDM4E (0.57) GAAKDM4EMAPTL3MBTL1ALDH1A1
Msx-122 SCHEMBL10054965 0.80 CXCR4 (0.61) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL29995846 0.79 GAA (0.56) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL12675588 0.79 GAA (0.56) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9279836 0.78 GAA (0.63) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL1883338 0.76 CYP3A4 (0.57) GAAKDM4EMAPTL3MBTL1
SCHEMBL12675581 0.76 GAA (0.61) GAAKDM4EMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383874-A1 MESOIONIC HALOGENATED 3-(ACETYL)-1-[(1,3-THIAZOL-5-YL)METHYL]-1H-IMIDAZO[1,2-A]PYRIDIN-4-IUM-2-OLATE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-10-10 EP disclosed
US-20180282323-A1 Mesoionic imidazole derivatives as insecticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 US disclosed
WO-2017093214-A1 MESOIONIC HALOGENATED 3-(ACETYL)-1-[(1,3-THIAZOL-5-YL)METHYL]-1H-IMIDAZO[1,2-A]PYRIDIN-4-IUM-2-OLATE DERIVATIVES AND RELATED COMPOUNDS AS INSECTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-08 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-20180282323-A1 Mesoionic imidazole derivatives as insecticides CHRM1, DDT, CHRM2 GAA 1262/4885KDM4E 1566/4885MAPT 859/4885

“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.