SCHEMBL3022358

SCHEMBL3022358

NC/C=C(\F)COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.64
MAOB P27338 2/20 0.64
MAPT P10636 8/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.48
HPGD P15428 4/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDE7A Q13946 1/20 0.46
ENPP2 Q13822 1/20 0.43

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
SCHEMBL3022359 1.00 AOC3 (0.64) AOC3MAOBMAPTLMNASMN1; SMN2
SCHEMBL3022356 1.00 AOC3 (0.64) AOC3MAOBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3757436 0.99 AOC3 (0.63) AOC3MAOBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3757438 0.99 AOC3 (0.63) AOC3MAOBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3757440 0.99 AOC3 (0.63) AOC3MAOBMAPTLMNASMN1; SMN2
SCHEMBL2921752 0.86 MAPT (0.53) AOC3MAOBMAPTLMNASMN1; SMN2
SCHEMBL2921755 0.86 MAPT (0.53) AOC3MAOBMAPTLMNASMN1; SMN2
SCHEMBL2921757 0.86 MAPT (0.53) AOC3MAOBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3753334 0.85 MAPT (0.52) AOC3MAOBMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3753335 0.85 MAPT (0.52) AOC3MAOBMAPTLMNASMN1; 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 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-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
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP 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.