SCHEMBL1655108

SCHEMBL1655108

Cc1cnc(C(=O)NCCN)c[n+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
MAOB P27338 2/20 0.51
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CNR1 P21554 1/20 0.34
CHEK1 O14757 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL12730636 0.89 HCAR2 (0.51) HCAR2MAOBCA2CA4KDM4E
SCHEMBL1655775 0.87 HCAR2 (0.49) HCAR2MAOBCA12CA1CA2
SCHEMBL1655821 0.87 HCAR2 (0.49) HCAR2MAOBCA2NPC1RAB9A
SCHEMBL12730608 0.86 HCAR2 (0.48) HCAR2MAOBCA2CNR1
SCHEMBL1655365 0.86 HCAR2 (0.48) HCAR2MAOBCA12CA1CA2
SCHEMBL11745645 0.84 HCAR2 (0.61) HCAR2CA12NPC1RAB9ACYP1A2
SCHEMBL9422317 0.83 HCAR2 (0.65) HCAR2MAOBCA1CA2CYP1A2
Acipimox SCHEMBL11743417 0.79 HCAR2 (0.79) HCAR2MAOBCYP1A2TSHRNFKB1
SCHEMBL1656465 0.79 HCAR2 (0.49) HCAR2CA12CA1CA2
Acipimox SCHEMBL28438037 0.78 HCAR2 (0.77) HCAR2MAOBCYP1A2TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044136-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
WO-2011044136-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed
US-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 US disclosed
US-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-04-07 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-20110082156-A1 FATTY ACID ACIPIMOX DERIVATIVES AND THEIR USES ACOX3, ACOX1, PAOX HCAR2 122/4885MAOB 1010/4885CA12 2766/4885

“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.