SCHEMBL851634

SCHEMBL851634

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IL18 Q14116 1/20 0.43
ALDH1A1 P00352 1/20 0.43
F2 P00734 3/20 0.42
MLYCD O95822 1/20 0.42
SCN9A Q15858 6/20 0.41
FPR2 P25090 1/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 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
SCHEMBL851666 0.88 PARP15 (0.51) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL851902 0.81 ST14 (0.59) F2MLYCDLPAR1LPAR5
SCHEMBL851104 0.78 F2 (0.41) MAPTLMNARAB9AALDH1A1F2
SCHEMBL851979 0.74 PARP15 (0.62) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL29582194 0.72 PARP15 (0.57) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL851271 0.72 PARP15 (0.53) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL3793720 0.72 PARP10 (0.81) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL2086683 0.70 GCK (0.56) PARP15PARP10PARP2
SCHEMBL25314649 0.70 PARP15 (0.57) PARP15PARP10PARP2MAPTKDM4E
SCHEMBL2086667 0.69 GCK (0.50) PARP15PARP10PARP2

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.