SCHEMBL3515915

SCHEMBL3515915

COc1c[c]ccc1OCCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
IDH1 O75874 1/20 0.41
KIT P10721 2/20 0.41
ALDH1A1 P00352 2/20 0.39
CTSS P25774 1/20 0.39
PGK1 P00558 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL3514867 0.94 L3MBTL1 (0.47) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL2976035 0.79 POLB (0.56) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL2976094 0.78 POLB (0.55) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL3562876 0.77 POLB (0.56) KMT2AMEN1POLBSMN1; SMN2CCNC
SCHEMBL3514397 0.75 POLB (0.44) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL3515182 0.75 CYP2D6 (0.55) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL9934430 0.74 MEN1 (0.51) KMT2AMEN1POLBCTSSBRD4
SCHEMBL1531267 0.74 POLB (0.48) KMT2AMEN1POLBKITALDH1A1
SCHEMBL1912062 0.73 POLB (0.56) KMT2AMEN1POLBL3MBTL1ALDH1A1
SCHEMBL7451023 0.73 POLB (0.56) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB KMT2A 1287/4885MEN1 3912/4885POLB 3390/4885

“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.