SCHEMBL13058136

SCHEMBL13058136

NC/C=C(\Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AOC3 Q16853 3/20 0.40
MAOB P27338 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37
HIF1A Q16665 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL17188609 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPSR1AOC3
SCHEMBL13058137 1.00 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NPSR1AOC3
SCHEMBL9618279 0.80 TSHR (0.43) MEN1KMT2AMAOBALDH1A1MAPK1
SCHEMBL4631460 0.79 KMT2A (0.42) MEN1KMT2ASMN1; SMN2NPSR1HDAC1
SCHEMBL4631463 0.79 KMT2A (0.42) MEN1KMT2ASMN1; SMN2NPSR1HDAC1
SCHEMBL10630432 0.79 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1TRPA1
SCHEMBL10880294 0.79 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1TRPA1
SCHEMBL10630435 0.79 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2NPSR1TRPA1
SCHEMBL6568111 0.77 KMT2A (0.49) MEN1KMT2ASMN1; SMN2NPSR1TRPA1
SCHEMBL11032398 0.77 KMT2A (0.49) MEN1KMT2ASMN1; SMN2NPSR1TRPA1

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
US-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-03-07 US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
EP-2844637-B1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
US-9815782-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-14 US disclosed
US-9815782-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-14 US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 US disclosed
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
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 US disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 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 (5 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-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA MEN1 4163/4885KMT2A 4025/4885SMN1; SMN2 1418/4885
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA MEN1 4163/4885KMT2A 4025/4885SMN1; SMN2 1418/4885
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA MEN1 4163/4885KMT2A 4025/4885SMN1; SMN2 1418/4885
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB MEN1 3253/4885KMT2A 3980/4885SMN1; SMN2 1608/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 MEN1 4287/4885KMT2A 3489/4885SMN1; SMN2 1423/4885

“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.