SCHEMBL4574261

SCHEMBL4574261

Cc1ccc(NCC(N)=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
LMNA P02545 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
MAPT P10636 5/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
HTT P42858 1/20 0.46
AGTR1 P30556 2/20 0.45

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
SCHEMBL29938824 0.86 ALDH1A1 (0.51) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL453290 0.86 ALDH1A1 (0.51) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL847583 0.84 MAPT (0.52) POLBALDH1A1TDP1LMNAMAPT
SCHEMBL16302258 0.84 CA12 (0.42) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL21518479 0.83 ALDH1A1 (0.58) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL10189308 0.83 POLB (0.56) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL31374324 0.82 POLB (0.56) USP2ALOX15CASP1CASP7HSD17B10
SCHEMBL5113179 0.80 POLB (0.53) ALOX15POLBALDH1A1TDP1LMNA
SCHEMBL10152983 0.79 POLB (0.51) USP2ALOX15CASP1CASP7HSD17B10
Hydrochloric Acid SCHEMBL5775146 0.79 POLB (0.51) ALOX15POLBALDH1A1TDP1LMNA

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
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
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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 USP2 2027/4885ALOX15 2011/4885CASP1 87/4885

“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.