SCHEMBL805063

SCHEMBL805063

CC(C)C(C)c1cnccc1C(=O)NC1(CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.36
KDM6B O15054 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
NTRK1 P04629 5/20 0.34
JAK2 O60674 3/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IMPDH2 P12268 1/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
NAMPT P43490 2/20 0.32
LATS1 O95835 1/20 0.32

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
SCHEMBL799283 0.90 KDM4C (0.37) KDM4CKDM6BALDH1A1NTRK1JAK2
SCHEMBL171942 0.80 P2RX7 (0.39) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL14743451 0.66 KDM4E (0.46) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL13086655 0.65 KDM4C (0.45) KDM4CKDM6BKDM4EALDH1A1GLA
SCHEMBL798742 0.64 KDM4C (0.42) KDM4CKDM6BALDH1A1GAALMNA
SCHEMBL172133 0.62 RAB9A (0.44) KDM4CKDM6BALDH1A1GAA
SCHEMBL31294174 0.60 HSD11B1 (0.54) KDM4EALDH1A1GAALMNA
SCHEMBL23880058 0.60 SCN9A (0.48) CNR2CNR1
SCHEMBL20687415 0.60 TSHR (0.55) KDM4EALDH1A1GAALMNA
SCHEMBL20462813 0.60 KDM4C (0.50) KDM4CKDM6BKDM4EALDH1A1L3MBTL1

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 KDM4C 3079/4885KDM6B 2058/4885KDM4E 2191/4885

“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.