SCHEMBL5147809

SCHEMBL5147809

CC(C)(C)OC(=O)N1CCC(C(=NNC(N)=S)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
STS P08842 4/20 0.49
GPR119 Q8TDV5 3/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.45
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CCR8 P51685 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL5147798 1.00 KDM4E (0.52) KDM4EPKMSTSGPR119PTPN2
SCHEMBL3380017 0.82 KDM4E (0.57) KDM4EPKMSTSGPR119PTPN2
SCHEMBL3380015 0.82 KDM4E (0.57) KDM4EPKMSTSGPR119PTPN2
SCHEMBL16395219 0.79 KDM4E (0.59) KDM4EPKMSTSGPR119PTPN2
SCHEMBL25260321 0.77 MMP13 (0.55) KDM4EPKMSTSGPR119KMT2A
SCHEMBL22773318 0.77 MMP13 (0.55) KDM4EPKMSTSGPR119KMT2A
SCHEMBL22773317 0.77 MMP13 (0.55) KDM4EPKMSTSGPR119KMT2A
SCHEMBL441012 0.76 KDM4E (0.62) KDM4EPKMSTSGPR119PTPN2
SCHEMBL14514078 0.76 KDM4E (0.53) KDM4EPKMSTSGPR119PTPN2
SCHEMBL20202546 0.75 RAB9A (0.48) KDM4EPKMKMT2AMEN1

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-20070276017-A1 Thiadiazoline Derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-11-29 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-20070276017-A1 Thiadiazoline Derivative BRD7, NR3C2, NR5A2 KDM4E 3163/4885PKM 4005/4885STS 1172/4885

“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.