SCHEMBL2915970

SCHEMBL2915970

NCC=C(F)COc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.61
MAOB P27338 9/20 0.61
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2915967 1.00 AOC3 (0.61) AOC3MAOBTDP1TSHRSMN1; SMN2
SCHEMBL2915961 1.00 AOC3 (0.61) AOC3MAOBTDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2923262 0.98 AOC3 (0.59) AOC3MAOBTDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2923259 0.98 AOC3 (0.59) AOC3MAOBTDP1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2923263 0.98 AOC3 (0.59) AOC3MAOBTDP1TSHRSMN1; SMN2
SCHEMBL2924009 0.83 TDP1 (0.58) TDP1TSHRSMN1; SMN2HTTGAA
SCHEMBL3751607 0.82 AOC3 (0.63) AOC3MAOBSMN1; SMN2GAA
SCHEMBL3751606 0.82 AOC3 (0.63) AOC3MAOBSMN1; SMN2GAA
SCHEMBL3751600 0.82 AOC3 (0.63) AOC3MAOBSMN1; SMN2GAA
SCHEMBL2945787 0.81 AOC3 (0.61) AOC3MAOBTDP1SMN1; SMN2MAPT

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 10 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
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 295/4885TDP1 237/4885

“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.