SCHEMBL4573751

SCHEMBL4573751

NC(=O)CNc1cccc2c1CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
HDAC6 Q9UBN7 2/20 0.54
ALDH1A1 P00352 3/20 0.51
SIGMAR1 Q99720 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL7333321 0.82 ALDH1A1 (0.56) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL16269089 0.80 CD44 (0.49) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL16269637 0.80 PNMT (0.45) RXRARXRBRXRGHDAC6
SCHEMBL7326556 0.76 ALDH1A1 (0.56) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL28669599 0.76 ALDH1A1 (0.54) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL2357753 0.76 ALDH1A1 (0.63) RXRARXRBRXRGALDH1A1SIGMAR1
SCHEMBL4573756 0.76 HTT (0.51) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL12471303 0.75 HTT (0.54) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL11983317 0.74 RXRA (0.52) RXRARXRBRXRGHDAC6ALDH1A1
SCHEMBL3014533 0.74 ALDH1A1 (0.65) RXRARXRBRXRGHDAC6ALDH1A1

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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ RXRA 1127/4885RXRB 886/4885RXRG 1035/4885

“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.