SCHEMBL799162

SCHEMBL799162

CCCNC(=O)c1nn(C)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
BRD4 O60885 1/20 0.37
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL799376 0.88 HSP90AB1 (0.45) KDM4EGAAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL15614501 0.74 FABP3 (0.37) GAAL3MBTL1SMN1; SMN2RAB9ALMNA
SCHEMBL15614502 0.73 CNR2 (0.44) MAPTPOLBKDM4EGAAL3MBTL1
SCHEMBL15614503 0.73 ADORA2A (0.50) POLBKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL19769049 0.73 ADORA2A (0.45) MAPTPOLBKDM4ERAB9ALMNA
SCHEMBL28312387 0.71 POLB (0.42) MAPTPOLBTDP1KDM4EGAA
SCHEMBL18723265 0.67 L3MBTL1 (0.46) KDM4EGAAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL8438313 0.67 L3MBTL1 (0.49) POLBTDP1KDM4EGAAL3MBTL1
SCHEMBL15401989 0.67 L3MBTL1 (0.46) KDM4EGAAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL21943251 0.67 GABRG2 (0.41) MAPTPOLBTDP1KDM4ESMN1; 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 MAPT 2574/4885POLB 1335/4885TDP1 3330/4885

“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.