SCHEMBL4253932

SCHEMBL4253932

CC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(C(=S)NO)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAP3K5 Q99683 1/20 0.42
FPR2 P25090 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
SCN9A Q15858 1/20 0.40
RORC P51449 1/20 0.40
HDAC1 Q13547 1/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
LIMK2 P53671 1/20 0.39

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
SCHEMBL1994308 0.90 KDM4E (0.49) KDM4EPKMKMT2ALMNAMAP3K5
SCHEMBL2611335 0.79 KDM4E (0.46) KDM4EPKMKMT2ALMNAFPR2
SCHEMBL4777921 0.79 KDM4E (0.54) KDM4EPKMGPR119
SCHEMBL17063253 0.79 FPR2 (0.48) KDM4EPKMFPR2GPR119
SCHEMBL4251097 0.78 ALDH1A1 (0.45) KDM4ELMNAMAP3K5HDAC1
SCHEMBL3505577 0.77 BACE1 (0.46) KDM4EPKMGPR119
SCHEMBL19461048 0.77 PIK3CA (0.43) KDM4EPKMMAP3K5FPR2GPR119
SCHEMBL7808872 0.76 NR1H2 (0.44) KDM4EPKMGPR119
SCHEMBL18918197 0.75 KDM4E (0.43) KDM4EPKMGPR119
SCHEMBL3383957 0.74 HRH3 (0.47) KDM4EPKMKMT2AABL1RIN1

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 KDM4E 369/4885PKM 2127/4885KMT2A 94/4885

“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.