SCHEMBL6091829

SCHEMBL6091829

N#Cc1cccc(C(=O)CCCCl)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.62
VNN1 O95497 9/20 0.44
GRM5 P41594 1/20 0.41
NAMPT P43490 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FFAR1 O14842 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL8105775 0.87 GSK3B (0.74) GSK3BVNN1GRM5MAPTFFAR1
SCHEMBL19707531 0.84 GSK3B (0.62) GSK3BGRM5L3MBTL1
SCHEMBL10745445 0.83 GSK3B (0.70) GSK3BVNN1GRM5NAMPT
SCHEMBL19707546 0.83 GSK3B (0.60) GSK3BL3MBTL1LMNAMAPTTDP1
SCHEMBL19707549 0.82 GSK3B (0.59) GSK3BL3MBTL1LMNAMAPTTDP1
SCHEMBL13571053 0.81 GSK3B (0.66) GSK3BVNN1GRM5L3MBTL1FFAR1
SCHEMBL31542041 0.81 GSK3B (0.66) GSK3BVNN1LMNAFFAR1HDAC3
SCHEMBL12354562 0.80 GSK3B (0.53) GSK3BVNN1TDP1MRGPRX4
SCHEMBL12586951 0.79 TDP1 (0.51) GSK3BVNN1TDP1MRGPRX4
SCHEMBL1712250 0.78 GSK3B (0.72) GSK3BVNN1GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
US-20050150764-A1 Tetrahydropyridazine derivatives and their use as pesticides MAURER FRITZ (DE) 2005-07-14 US disclosed
EP-1537101-A1 TETRAHYDROPYRIDAZINE DERIVATIVES HAVING A PESTICIDAL EFFECT Bayer CropScience Aktiengesellschaft (DE) 2005-06-08 EP disclosed
EP-1414815-A1 TETRAHYDROPYRIDAZINE DERIVATIVES AND THEIR USE AS PESTICIDES Bayer CropScience AG (DE) 2004-05-06 EP disclosed
WO-2004024722-A1 TETRAHYDROPYRIDAZINE DERIVATIVES HAVING A PESTICIDAL EFFECT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-03-25 WO disclosed
WO-2003010162-A1 TETRAHYDROPYRIDAZINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 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-20050150764-A1 Tetrahydropyridazine derivatives and their use as pesticides DDT, ACHE, CYP4X1 GSK3B 3372/4885VNN1 2346/4885GRM5 25/4885
US-20060128718-A1 Tetrahydropyridazine derivatives having a pesticidal effect DDT, ACHE, RDX GSK3B 3531/4885VNN1 2551/4885GRM5 36/4885

“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.