SCHEMBL12930100

SCHEMBL12930100

CCOC(=O)c1cc2ccc(C)cc2n1Cc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.65
NOD1 Q9Y239 3/20 0.65
F10 P00742 3/20 0.53
CCR9 P51686 1/20 0.52
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
CRHBP P24387 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
SCHEMBL12930103 0.91 NOD2 (0.65) NOD2NOD1F10MAPTTDP1
SCHEMBL941496 0.87 NOD2 (0.56) NOD2NOD1F10CCR9MAPT
SCHEMBL13694083 0.86 NOD2 (0.55) NOD2NOD1F10CCR9MAPT
SCHEMBL12930101 0.84 NOD2 (0.67) NOD2NOD1F10CCR9MAPT
SCHEMBL15304626 0.84 NOD2 (0.52) NOD2NOD1F10CCR9MAPT
SCHEMBL8692295 0.82 NOD2 (0.58) NOD2NOD1F10MAPTTDP1
SCHEMBL832502 0.81 NOD2 (0.57) NOD2NOD1F10MAPTTDP1
SCHEMBL12930098 0.81 NOD2 (0.53) NOD2NOD1F10CCR9MAPT
SCHEMBL1051950 0.81 NOD2 (0.56) NOD2NOD1F10MAPTTDP1
SCHEMBL3565301 0.80 NOD2 (0.55) NOD2NOD1F10CCR9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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 (2 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-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 NOD2 703/4885NOD1 228/4885F10 1624/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 NOD2 703/4885NOD1 228/4885F10 1624/4885

“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.