SCHEMBL2921755

SCHEMBL2921755

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.49
HPGD P15428 4/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PDE7A Q13946 1/20 0.47
MAOB P27338 1/20 0.46
AOC3 Q16853 1/20 0.46
HGFAC Q04756 1/20 0.45
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
SCHEMBL2921752 1.00 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2921757 1.00 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753337 0.99 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753335 0.99 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753334 0.99 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3022359 0.86 AOC3 (0.64) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3022358 0.86 AOC3 (0.64) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL3022356 0.86 AOC3 (0.64) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2923784 0.85 MAPT (0.59) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3757438 0.85 AOC3 (0.63) MAPTLMNASMN1; SMN2ALDH1A1RAB9A

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 16 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
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN 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
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
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN 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
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 MAPT 2307/4885LMNA 954/4885SMN1; SMN2 1608/4885

“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.