SCHEMBL798983

SCHEMBL798983

CC(CO)NC(=O)c1ccccc1C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
BRD4 O60885 1/20 0.47
POLB P06746 1/20 0.46
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
CGAS Q8N884 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8980562 0.83 LMNA (0.61) KMT2AMEN1BRD4POLBKDM4E
SCHEMBL13162410 0.83 MEN1 (0.54) KMT2AMEN1BRD4POLBHPGD
SCHEMBL799166 0.82 KCNK3 (0.53) KMT2AMEN1KCNK3KCNK9KDM4E
SCHEMBL4828073 0.81 MEN1 (0.53) KMT2AMEN1BRD4POLBKDM4E
SCHEMBL6387197 0.79 MEN1 (0.50) KMT2AMEN1BRD4POLBKDM4E
SCHEMBL24480200 0.78 CTSD (0.55) KMT2AMEN1KCNK3KCNK9LMNA
SCHEMBL15614417 0.77 NLRP3 (0.50) KMT2AMEN1POLBKCNK3KCNK9
SCHEMBL24568614 0.77 MEN1 (0.69) KMT2AMEN1POLBKDM4EHPGD
SCHEMBL3380039 0.77 RAB9A (0.65) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL12019757 0.77 RAB9A (0.65) KMT2AMEN1HPGDLMNAALDH1A1

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 KMT2A 2921/4885MEN1 2694/4885BRD4 3217/4885

“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.