SCHEMBL2945787

SCHEMBL2945787

NCC=C(F)COc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.61
MAOB P27338 13/20 0.61
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2945786 1.00 AOC3 (0.61) AOC3MAOBMEN1KMT2APOLB
SCHEMBL2945783 1.00 AOC3 (0.61) AOC3MAOBMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL2944798 0.98 AOC3 (0.59) AOC3MAOBMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL2944794 0.98 AOC3 (0.59) AOC3MAOBMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL2944793 0.98 AOC3 (0.59) AOC3MAOBMEN1KMT2APOLB
SCHEMBL2915961 0.81 AOC3 (0.61) AOC3MAOBMAPTSMN1; SMN2TDP1
SCHEMBL2915967 0.81 AOC3 (0.61) AOC3MAOBMAPTSMN1; SMN2TDP1
SCHEMBL2915970 0.81 AOC3 (0.61) AOC3MAOBMAPTSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL2923262 0.80 AOC3 (0.59) AOC3MAOBMAPTSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL2923259 0.80 AOC3 (0.59) AOC3MAOBMAPTSMN1; SMN2TDP1

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 8 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
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-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 295/4885MEN1 3253/4885

“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.