SCHEMBL12751699

SCHEMBL12751699

CCOC(=O)C(O)c1cc[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PIN1 Q13526 1/20 0.37
CYP1A2 P05177 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
PDE4D Q08499 1/20 0.35
POLB P06746 1/20 0.35
MMP8 P22894 1/20 0.34
CASP1 P29466 1/20 0.34
NUDT1 P36639 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8952123 0.76 LMNA (0.40) TSHRKMT2APOLB
SCHEMBL27406626 0.74 ALDH1A1 (0.39) ALDH1A1TSHRGAASMN1; SMN2KDM4E
SCHEMBL5624661 0.74
SCHEMBL27545035 0.73 NUDT1 (0.36) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL22591067 0.73 MAPT (0.30)
SCHEMBL29543647 0.72
SCHEMBL6076413 0.71 SMN1; SMN2 (0.64) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL22440098 0.70 MEN1 (0.41) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL561497 0.69 CYP1A2 (0.56) ALDH1A1TSHRKMT2AMEN1GAA
SCHEMBL19717595 0.69 APLNR (0.46) ALDH1A1TSHRKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
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-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
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 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 ALDH1A1 674/4885TSHR 4193/4885KMT2A 605/4885

“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.