SCHEMBL2914730

SCHEMBL2914730

CC(C)(C)c1nc2cc(O)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
CA2 P00918 1/20 0.49
APP P05067 2/20 0.48
ILK Q13418 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASR P41180 8/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CLK1 P49759 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL8355818 0.86 HTT (0.56) DYRK1ACA2APPMAPTHTT
SCHEMBL7239065 0.80 CASR (0.49) DYRK1AKDM4ENPC1MAPTRAB9A
SCHEMBL2705399 0.80 CASR (0.44) DYRK1ACASR
SCHEMBL10220001 0.79 DYRK1A (0.49) DYRK1AILKKDM4EMAPTCASR
SCHEMBL21652203 0.79 CASR (0.38) APPNPC1RAB9ANPSR1CASR
SCHEMBL9891490 0.79 SMN1; SMN2 (0.56) NPC1RAB9ANPSR1CASRGAA
SCHEMBL2090627 0.79 CASR (0.37) NPC1RAB9ACASR
SCHEMBL21652286 0.79 PPARA (0.51) DYRK1ANPC1RAB9ACASRGAA
SCHEMBL2705764 0.78 RAB9A (0.45) NPC1MAPTRAB9ACASRGAA
SCHEMBL19749195 0.77 SMN1; SMN2 (0.52) NPC1MAPTRAB9ACASRGAA

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 5 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 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 DYRK1A 4150/4885CA2 3200/4885APP 1634/4885

“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.