SCHEMBL4056768

SCHEMBL4056768

COc1cc(Cl)c(COC(C)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ADRB2 P07550 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4059530 0.81 CYP3A4 (0.54) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL12551767 0.78 TAAR1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2MAPK1
SCHEMBL28341702 0.78 NOTUM (0.43) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL28773420 0.77 HSD17B10 (0.41) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL12396791 0.77 CYP3A4 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10CYP3A4
SCHEMBL29606534 0.77 HSD17B10 (0.41) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL12089620 0.77 SMN1; SMN2 (0.45) ALDH1A1GAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL4061805 0.76 PDE4A (0.47) ALDH1A1GAAMAPTSMN1; SMN2KDM4E
SCHEMBL14850042 0.76 PKM (0.41) ALDH1A1GAAL3MBTL1POLBSMN1; SMN2
SCHEMBL4056315 0.74 TAAR1 (0.43) ALDH1A1GAAMAPTSMN1; SMN2KDM4E

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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB ALDH1A1 948/4885GAA 1194/4885MAPT 4252/4885

“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.