SCHEMBL1473178

SCHEMBL1473178

COC(=O)c1ccc(C=Cc2nccn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 6/20 0.45
NPC1 O15118 5/20 0.45
LMNA P02545 4/20 0.45
DRD2 P14416 1/20 0.44
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 4/20 0.42
MAOB P27338 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL1473176 1.00 SMN1; SMN2 (0.51) SMN1; SMN2PTPN1ALDH1A1MAPTNPC1
SCHEMBL1476243 0.84 TBXAS1 (0.45) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL1476241 0.84 TBXAS1 (0.45) SMN1; SMN2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL71402 0.78 PTPN1 (0.73) PTPN1ALDH1A1MAPTNPC1LMNA
SCHEMBL71401 0.78 PTPN1 (0.73) PTPN1ALDH1A1MAPTNPC1LMNA
SCHEMBL31301140 0.78 PTPN1 (0.73) PTPN1ALDH1A1MAPTNPC1LMNA
SCHEMBL5379059 0.78 PTPN1 (0.73) PTPN1ALDH1A1MAPTNPC1LMNA
SCHEMBL2627847 0.78 PTPN1 (0.73) PTPN1ALDH1A1MAPTNPC1LMNA
SCHEMBL6208429 0.76 NFE2L2 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1LMNA
SCHEMBL6208431 0.76 NFE2L2 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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 (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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK SMN1; SMN2 4373/4885PTPN1 4012/4885ALDH1A1 4169/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK SMN1; SMN2 4458/4885PTPN1 3810/4885ALDH1A1 4297/4885

“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.