SCHEMBL2384642

SCHEMBL2384642

O=C(O)C1CCN(c2nsnc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.45
CYP2C19 P33261 1/20 0.45
HTR1A P08908 2/20 0.43
NOTUM Q6P988 9/20 0.43
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APAF1 O14727 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
GALK1 P51570 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2383228 0.79 MAPT (0.60) LMNAKDM4ECYP2C19HPGDHSD17B10
SCHEMBL4314831 0.77 HTR1A (0.41) HTTKDM4EHTR1AHPGDNPSR1
SCHEMBL14008444 0.72 KDM4E (0.41) KDM4EHTR1AHPGDHSD17B10POLB
SCHEMBL15775983 0.72 NEK2 (0.49) NEK2LMNAHTTKDM4ECYP2C19
SCHEMBL27711577 0.70 KDM4E (0.51) NEK2LMNAHTTKDM4ECYP2C19
SCHEMBL2421306 0.69 MALT1 (0.70) NEK2KDM4ECYP2C19NOTUMKMT2A
SCHEMBL31241514 0.68 PIK3R1 (0.46) NEK2LMNAHTTKDM4ENOTUM
SCHEMBL5800932 0.68 NOTUM (0.81) LMNAHTTKDM4ECYP2C19NOTUM
SCHEMBL5347384 0.68 NEK2 (0.51) NEK2LMNAHTTKDM4ECYP2C19
SCHEMBL31381249 0.68 NOTUM (0.52) NEK2LMNAHTTKDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103497148-A Hydroxylamine compounds and methods of their use OTHERA HOLDING INC 2014-01-08 CN disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
CN-101687786-B Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2013-05-22 CN disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101687786-A Hydroxylamine compounds and methods of use thereof OTHERA HOLDING INC 2010-03-31 CN disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR NEK2 1196/4885LMNA 2968/4885HTT 3659/4885
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 NEK2 975/4885LMNA 1875/4885HTT 273/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 NEK2 796/4885LMNA 1465/4885HTT 37/4885

“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.