SCHEMBL1444080

SCHEMBL1444080

Cc1nc2cc(OC/C(F)=C/CN)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.53
MAOB P27338 14/20 0.53
PDE10A Q9Y233 1/20 0.47
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1444081 1.00 AOC3 (0.53) AOC3MAOBPDE10AHSD17B10NPC1
SCHEMBL1444077 1.00 AOC3 (0.53) AOC3MAOBPDE10AHSD17B10NPC1
Hydrochloric Acid SCHEMBL3752553 0.99 AOC3 (0.52) AOC3MAOBPDE10AHSD17B10NPC1
Hydrochloric Acid SCHEMBL2923134 0.99 AOC3 (0.52) AOC3MAOBPDE10AHSD17B10NPC1
Hydrochloric Acid SCHEMBL2923136 0.99 AOC3 (0.52) AOC3MAOBPDE10AHSD17B10NPC1
SCHEMBL3751561 0.90 AOC3 (0.53) AOC3MAOBLMNAMAPT
SCHEMBL3751565 0.90 AOC3 (0.53) AOC3MAOBLMNAMAPT
SCHEMBL3751556 0.90 AOC3 (0.53) AOC3MAOBLMNAMAPT
Hydrochloric Acid SCHEMBL2923493 0.89 AOC3 (0.52) AOC3MAOBLMNAMAPT
Hydrochloric Acid SCHEMBL3763018 0.89 AOC3 (0.52) AOC3MAOBLMNAMAPT

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 claimed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US claimed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US claimed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP claimed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO claimed
US-10576148-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2020-03-03 US disclosed
US-20180071388-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2018-03-15 US disclosed
EP-2475387-B1 VAP-1 INHIBITORS FOR USE IN TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP (FI) 2017-11-01 EP disclosed
US-9795671-B2 Use of VAP-1 inhibitors for treating fibrotic conditions BIOTIE THERAPIES CORP. (FI) 2017-10-24 US disclosed
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP disclosed
US-20130195883-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS THE UNIVERSITY OF BIRMINGHAM (GB) 2013-08-01 US disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
EP-2475387-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS Biotie Therapies Corp. (FI) 2012-07-18 EP disclosed
WO-2011029996-A1 USE OF VAP-1 INHIBITORS FOR TREATING FIBROTIC CONDITIONS BIOTIE THERAPIES CORP. (FI) 2011-03-17 WO disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US 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 (1 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 AOC3 30/4885MAOB 295/4885PDE10A 779/4885

“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.