SCHEMBL12828697

SCHEMBL12828697

C/C(=C1/CCN(C(=O)OC(C)(C)C)C(C)C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HDAC1 Q13547 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
NPC1 O15118 1/20 0.39
UCHL1 P09936 2/20 0.39
USP30 Q70CQ3 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL12751300 0.83 KDM4E (0.40) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL30468458 0.80 MAPK1 (0.45) GPR119MEN1KMT2AUCHL1NR1H2
SCHEMBL30960950 0.76 SETD7 (0.37) GPR119SETD7NPC1NR1H2
SCHEMBL16113465 0.76 OGA (0.43) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL16113467 0.76 OGA (0.43) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL23830485 0.75 KDM4E (0.48) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL31587841 0.74 SETD7 (0.65) MEN1KMT2ASETD7
SCHEMBL432224 0.73 SETD7 (0.40) KDM4EGPR119SETD7NR1H2
SCHEMBL6745485 0.73 SETD7 (0.38) GPR119SETD7NR1H2
SCHEMBL24267329 0.73 SETD7 (0.38) GPR119SETD7NR1H2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT KDM4E 111/4885PKM 3253/4885GPR119 1747/4885

“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.