SCHEMBL851829

SCHEMBL851829

CC(C)(C)OC(=O)Nc1cc(O)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
IL18 Q14116 1/20 0.50
SCN9A Q15858 2/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
S1PR2 O95136 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KAT6A Q92794 1/20 0.39
GAA P10253 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL860729 0.83 DRD2 (0.45) EGLN2KMT2AKDM4EMEN1LMNA
SCHEMBL8510724 0.83 DRD2 (0.45) EGLN2KMT2AKDM4EMEN1LMNA
SCHEMBL959690 0.80 EGLN2 (0.55) EGLN2KMT2AKDM4EMEN1LMNA
SCHEMBL851778 0.80 EGLN2 (0.52) EGLN2RAB9AGPR119SIRT2
SCHEMBL851473 0.79 HDAC1 (0.43) EGLN2KMT2AKDM4EMEN1MAPT
SCHEMBL860905 0.79 KMT2A (0.51) KMT2AKDM4EMEN1LMNAPOLB
SCHEMBL851472 0.78 LTA4H (0.42) EGLN2MAPTS1PR2FNTAFNTB
SCHEMBL20226398 0.77 LMNA (0.53) LMNAALDH1A1GAA
SCHEMBL851416 0.77 DRD2 (0.47) EGLN2KMT2AKDM4EMEN1LMNA
SCHEMBL8509771 0.77 DRD2 (0.47) EGLN2KMT2AKDM4EMEN1LMNA

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 EGLN2 813/4885KMT2A 3122/4885KDM4E 2063/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 EGLN2 813/4885KMT2A 3122/4885KDM4E 2063/4885

“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.