SCHEMBL2940593

SCHEMBL2940593

Cc1ccc(-c2nc3ccc(OC/C(F)=C/CN)cc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 1/20 0.48
APP P05067 9/20 0.47
MAOB P27338 5/20 0.47
AOC3 Q16853 5/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SULT1A1 P50225 1/20 0.45
SNCA P37840 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
SCHEMBL2940595 1.00 MAPT (0.48) MAPTSMN1; SMN2THRBTP53APP
SCHEMBL2940590 1.00 MAPT (0.48) MAPTSMN1; SMN2THRBTP53APP
Hydrochloric Acid SCHEMBL3751861 0.99 MAPT (0.48) MAPTSMN1; SMN2THRBTP53APP
Hydrochloric Acid SCHEMBL3751865 0.99 MAPT (0.48) MAPTSMN1; SMN2THRBTP53APP
Hydrochloric Acid SCHEMBL3751867 0.99 MAPT (0.48) MAPTSMN1; SMN2THRBTP53APP
SCHEMBL3757503 0.92 AOC3 (0.47) MAPTSMN1; SMN2THRBTP53MAOB
SCHEMBL3757505 0.92 AOC3 (0.47) MAPTSMN1; SMN2THRBTP53MAOB
SCHEMBL3757500 0.92 AOC3 (0.47) MAPTSMN1; SMN2THRBTP53MAOB
Hydrochloric Acid SCHEMBL3757801 0.91 AOC3 (0.46) MAPTSMN1; SMN2THRBTP53MAOB
Hydrochloric Acid SCHEMBL3757804 0.91 AOC3 (0.46) MAPTSMN1; SMN2THRBTP53MAOB

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 MAPT 2307/4885SMN1; SMN2 1608/4885THRB 1892/4885

“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.