SCHEMBL851666

SCHEMBL851666

CCN(CC)C(=O)c1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
RAB9A P51151 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
SCN9A Q15858 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL851634 0.88 PARP15 (0.48) PARP15PARP10PARP2RAB9ALMNA
SCHEMBL3182944 0.81 ALDH1A1 (0.56) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL8514698 0.79 ST14 (0.64)
SCHEMBL851271 0.78 PARP15 (0.53) PARP15PARP10PARP2RAB9ALMNA
SCHEMBL851819 0.77 PDE4A (0.45) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL851979 0.77 PARP15 (0.62) PARP15PARP10PARP2RAB9ALMNA
SCHEMBL29582194 0.76 PARP15 (0.57) PARP15PARP10PARP2RAB9ALMNA
SCHEMBL3793720 0.75 PARP10 (0.81) PARP15PARP10PARP2RAB9ALMNA
SCHEMBL851791 0.75 PDE4A (0.43) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL1520159 0.73 HPGD (0.56) LMNAMAPTKDM4EMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 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 (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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885

“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.