SCHEMBL1473306

SCHEMBL1473306

COC(=O)c1ccc(NCc2nccn2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
LMNA P02545 1/20 0.50
TRPM5 Q9NZQ8 1/20 0.48
HKDC1 Q2TB90 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
AGTR1 P30556 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX5 P09917 1/20 0.44
RGS12 O14924 1/20 0.44
SLC27A1 Q6PCB7 1/20 0.43

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
SCHEMBL1473418 0.86 TRPM5 (0.50) CA1CA2LMNATRPM5MAPT
SCHEMBL3640996 0.82 TRPM5 (0.46) SMN1; SMN2TRPM5ALDH1A1MAPTPOLB
SCHEMBL7444492 0.80 KLK1 (0.55) TRPM5
SCHEMBL2227214 0.80 MEN1 (0.60) SMN1; SMN2CA1CA2LMNAALDH1A1
SCHEMBL178407 0.78 TRPM5 (0.56) SMN1; SMN2LMNATRPM5ALDH1A1MAPT
SCHEMBL22814101 0.77 TRPM5 (0.54) SMN1; SMN2LMNATRPM5ALDH1A1MAPT
SCHEMBL104554 0.74 TRPM5 (0.52) SMN1; SMN2LMNATRPM5ALDH1A1MAPT
SCHEMBL20843804 0.74 MAOA (0.52) SMN1; SMN2CA1CA2LMNATRPM5
SCHEMBL7446567 0.73 TRPM5 (0.51) TRPM5ALDH1A1HPGDMEN1KMT2A
SCHEMBL13934091 0.73 CA1 (0.87) SMN1; SMN2CA1CA2LMNAHKDC1

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 4373/4885CA1 216/4885CA2 720/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK SMN1; SMN2 4458/4885CA1 347/4885CA2 1013/4885

“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.