SCHEMBL2921609

SCHEMBL2921609

CN(Cc1ccccc1)C(=O)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
MLYCD O95822 1/20 0.62
LIMK2 P53671 2/20 0.61
MAOA P21397 1/20 0.61
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
ABL1 P00519 1/20 0.59
LCK P06239 1/20 0.59
LIMK1 P53667 1/20 0.59
HSD17B1 P14061 2/20 0.58
HSD17B2 P37059 2/20 0.58
HPGD P15428 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
MTOR P42345 1/20 0.56
NPC1 O15118 2/20 0.56

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
SCHEMBL9416557 0.91 HDAC1 (0.59) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL1003665 0.89 KMT2A (0.83) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL3455399 0.86 LIMK2 (0.69) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL4937857 0.85 HDAC1 (0.66) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL19630546 0.85 KMT2A (0.66) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL5644792 0.85 LIMK2 (0.70) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL4511359 0.85 KMT2A (0.66) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL4495709 0.83 KMT2A (0.69) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL14812071 0.83 HDAC1 (0.64) KMT2AMEN1HDAC1HDAC6MLYCD
SCHEMBL20277763 0.82 LIMK2 (0.63) KMT2AMEN1HDAC1HDAC6MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
CN-101230033-B New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB 2011-03-09 CN disclosed
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
CN-100577160-C Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB 2010-01-06 CN disclosed
US-7576120-B2 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-08-18 US disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO disclosed
CN-101230033-A New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB (FR) 2008-07-30 CN disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 US disclosed
CN-1921848-A Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-02-28 CN disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB KMT2A 3980/4885MEN1 3253/4885HDAC1 3174/4885
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 KMT2A 705/4885MEN1 998/4885HDAC1 1655/4885

“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.