SCHEMBL6093032

SCHEMBL6093032

N#CCCNc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.55
THRB P10828 1/20 0.50
AGER Q15109 1/20 0.40
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.34
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11252528 0.89 GAA (0.70) GAAALDH1A1HTTTHRBMAPT
SCHEMBL5028293 0.81 GAA (0.61) GAAALDH1A1HTTTHRBMAPT
SCHEMBL11531629 0.79 MAPT (0.55) GAAALDH1A1AGERMAPTMEN1
SCHEMBL6161907 0.79 THRB (0.66) GAAALDH1A1HTTTHRBMAPT
SCHEMBL10498902 0.79 GAA (0.59) GAAALDH1A1HTTTHRBAGER
SCHEMBL2705170 0.79 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL11142878 0.79 GAA (0.59) GAAALDH1A1HTTTHRBMAPT
SCHEMBL13192623 0.78 CA2 (0.46) GAAALDH1A1AGERMAPTMEN1
SCHEMBL6554127 0.78 GAA (0.58) GAAALDH1A1HTTTHRBMAPT
SCHEMBL141474 0.78 GAA (0.58) GAAALDH1A1HTTTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432246-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-07-07 CN disclosed
CN-105777756-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed
CN-106432246-A Heteroaromatic compound and application thereof to drug 广东东阳光药业有限公司 2017-02-22 CN disclosed
CN-105777756-A Heteroaryl compound and application thereof in medicines 广东东阳光药业有限公司 2016-07-20 CN disclosed
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1537101-A1 TETRAHYDROPYRIDAZINE DERIVATIVES HAVING A PESTICIDAL EFFECT Bayer CropScience Aktiengesellschaft (DE) 2005-06-08 EP disclosed
WO-2004024722-A1 TETRAHYDROPYRIDAZINE DERIVATIVES HAVING A PESTICIDAL EFFECT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-03-25 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-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect DDT, ACHE, RDX GAA 2443/4885ALDH1A1 1579/4885HTT 1151/4885

“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.