SCHEMBL1474801

SCHEMBL1474801

CCOC(=O)c1cc2cc(N(C)C)ccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
HPGD P15428 3/20 0.70
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HSD17B10 Q99714 1/20 0.70
NPC1 O15118 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
MMP13 P45452 8/20 0.64
MMP2 P08253 6/20 0.64
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
ATM Q13315 1/20 0.60
MMP14 P50281 4/20 0.60

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
SCHEMBL6517751 0.88 KDM4E (0.68) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL20746321 0.86 RAB9A (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6517125 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6176521 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6513838 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22718574 0.83 MMP13 (0.67) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30994860 0.82 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL85706 0.82 RAB9A (1.00) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL829213 0.81 KDM4E (0.76) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL68923 0.81 HRH3 (0.84) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 9 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
US-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-03 US disclosed
WO-2004101767-A2 CBI ANALOGUES OF THE DUOCARMYCINS AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-25 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 (3 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-20050026987-A1 CBI analogues of the duocarmycins and CC-1065 CCNI, SP1, DCK KDM4E 1508/4885ALDH1A1 4597/4885HPGD 4309/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK KDM4E 2541/4885ALDH1A1 4169/4885HPGD 2758/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK KDM4E 2528/4885ALDH1A1 4297/4885HPGD 2165/4885

“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.