SCHEMBL2920538

SCHEMBL2920538

Cc1nc(-c2ccc(O)cc2C)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
MIF P14174 1/20 0.56
ESR2 Q92731 5/20 0.53
ESR1 P03372 3/20 0.53
TYR P14679 3/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL1764529 0.82 MAPT (0.59) HTTMIFESR2MAPTALDH1A1
SCHEMBL8247118 0.77 MPL (0.54) HTTESR2MAPTALDH1A1GAA
SCHEMBL12648189 0.76 HTT (0.50) HTTMIFESR2ESR1TYR
SCHEMBL14456093 0.75 HTT (0.58) HTTMIFESR2TYRMAPT
SCHEMBL11484987 0.74 TYR (0.61) TYRALDH1A1GAAPOLBMEN1
SCHEMBL1434288 0.74 GAA (0.66) HTTESR2MAPTALDH1A1GAA
SCHEMBL8698425 0.74 ATP4A (0.57) ESR2MAPTALDH1A1GAAPOLB
SCHEMBL27741389 0.74 MIF (0.55) MIFESR2ESR1TYRMAPT
Bromide SCHEMBL8050945 0.73 GAA (0.65) HTTESR2MAPTALDH1A1GAA
SCHEMBL3322009 0.72 HSD17B1 (0.68) HTTESR2MAPTALDH1A1GAA

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 6 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
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
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 HTT 471/4885MIF 1584/4885ESR2 4557/4885

“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.