SCHEMBL1474097

SCHEMBL1474097

Brc1ccc(CN2CCCCC2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
TDP1 Q9NUW8 5/20 0.69
ALDH1A1 P00352 5/20 0.69
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.51
ADRA1D P25100 1/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
MEN1 O00255 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.41
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL621117 1.00 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL619338 0.98 KDM4E (0.71) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL622324 0.94 KDM4E (0.71) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL11329325 0.86 ALDH1A1 (0.62) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL13940653 0.84 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL1928227 0.83 KDM4E (0.67) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL14852476 0.81 KDM4E (1.00) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL226521 0.81 TDP1 (0.51) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL16480153 0.79 KDM4E (0.66) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL14049765 0.77 KDM4E (0.54) KDM4ETDP1ALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336751-A High-efficiency salt-induced kinase inhibitor and preparation method thereof 南京谷睿生物科技有限公司 2021-09-03 CN disclosed
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
EP-1701960-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-17 EP disclosed
CN-100469780-C Cysteine protease inhibitors MEDIVIR AB (SE) 2009-03-18 CN 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
CN-1918169-A Cysteine protease inhibitors MEDIVIR AB (SE) 2007-02-21 CN 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 KDM4E 2541/4885TDP1 4714/4885ALDH1A1 4169/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KDM4E 2528/4885TDP1 4718/4885ALDH1A1 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.