SCHEMBL4573756

SCHEMBL4573756

NCCNc1cccc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL11935623 0.85 HTT (0.51) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL18893376 0.83 ALDH1A1 (0.57) HTTSMN1; SMN2NPSR1RXRARXRB
Hydrochloric Acid SCHEMBL9850654 0.79 HTT (0.55) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL13256427 0.79 ALDH1A1 (0.61) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL12471303 0.79 HTT (0.54) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL4042587 0.76 SIGMAR1 (0.53) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL9759416 0.76 ALDH1A1 (0.57) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL4573751 0.76 RXRA (0.57) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL8166642 0.75 HTT (0.58) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL20757526 0.75 HTT (0.50) HTTSMN1; SMN2NPSR1RXRARXRB

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 HTT 2281/4885SMN1; SMN2 4698/4885NPSR1 735/4885

“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.