SCHEMBL4293416

SCHEMBL4293416

[CH2]C1CCC(CNc2nc(NC(C)C)nc(NC(C)C)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH3 Q9ULD8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
IDH1 O75874 2/20 0.36
IDH2 P48735 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
F2 P00734 1/20 0.36
LMNA P02545 1/20 0.36
CDK2 P24941 2/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CCNB2 O95067 1/20 0.35

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
SCHEMBL23431616 0.84 GAA (0.61) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL20814518 0.74 IDH1 (0.38) GAATDP1KCNH3POLBIDH1
SCHEMBL23431828 0.71 IDH1 (0.36) IDH1IDH2CA1CA2CA9
SCHEMBL8054361 0.70 IDH1 (0.46) KCNH3KMT2AMEN1IDH1IDH2
SCHEMBL1593463 0.70 NPY5R (0.43) CA1CA2CA9
SCHEMBL23431936 0.70 GAA (0.54) GAATDP1KMT2AMEN1CYP1A2
SCHEMBL23431675 0.69 IDH1 (0.34) IDH1IDH2CDK2CDK9
SCHEMBL12825140 0.69 PRKCQ (0.41) CDK2CDK9HRH4
SCHEMBL23431829 0.68 IDH1 (0.35) IDH1IDH2
SCHEMBL20814491 0.67 LMNA (0.50) KCNH3KMT2AIDH1IDH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217001-B2 Modification of feeding behavior IMPERIAL INNOVATIONS LIMITED 2012-07-10 US disclosed
US-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2009-08-20 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-20090209461-A1 MODIFICATION OF FEEDING BEHAVIOR NPY4R, NPY5R, NPY2R GAA 2226/4885TDP1 4438/4885KCNH3 3918/4885

“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.