SCHEMBL3757500

SCHEMBL3757500

Cc1ccc(-c2nc3cc(OC/C(F)=C\CN)ccc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.47
MAOB P27338 10/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DYRK1A Q13627 1/20 0.41

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
SCHEMBL3757505 1.00 AOC3 (0.47) AOC3MAOBMAPTTP53SMN1; SMN2
SCHEMBL3757503 1.00 AOC3 (0.47) AOC3MAOBMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3757804 0.99 AOC3 (0.46) AOC3MAOBMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3757801 0.99 AOC3 (0.46) AOC3MAOBMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3757799 0.99 AOC3 (0.46) AOC3MAOBMAPTTP53SMN1; SMN2
SCHEMBL2940595 0.92 MAPT (0.48) AOC3MAOBMAPTTP53SMN1; SMN2
SCHEMBL2940593 0.92 MAPT (0.48) AOC3MAOBMAPTTP53SMN1; SMN2
SCHEMBL2940590 0.92 MAPT (0.48) AOC3MAOBMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3751861 0.91 MAPT (0.48) AOC3MAOBMAPTTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3751867 0.91 MAPT (0.48) AOC3MAOBMAPTTP53SMN1; SMN2

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 12 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-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 EP 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-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
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 (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 295/4885MAPT 2307/4885

“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.