SCHEMBL2920786

SCHEMBL2920786

O=C(NC1CCCCC1)c1ccc(O)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.62
▸ RAB9A P51151 11/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CNR2 P34972 1/20 0.59
▸ HPGD P15428 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ ERN1 O75460 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MLLT1 Q03111 1/20 0.52
▸ ANO1 Q5XXA6 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL28684619 0.88 NPC1 (0.66) NPC1RAB9AL3MBTL1CNR2HPGD
SCHEMBL14192868 0.84 GRM5 (0.53) NPC1RAB9AL3MBTL1
SCHEMBL2919449 0.83 NPC1 (0.59) NPC1RAB9AL3MBTL1CNR2HPGD
SCHEMBL2923680 0.82 NPC1 (0.65) NPC1RAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL12217594 0.80 RAB9A (0.62) NPC1RAB9AL3MBTL1CNR2HPGD
SCHEMBL28928584 0.80 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL520877 0.80 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL126657 0.80 NPC1 (0.82) NPC1RAB9AHPGDSMN1; SMN2CYP1A2
SCHEMBL2085543 0.80 KMT2A (0.56) NPC1RAB9AL3MBTL1CNR2HPGD
SCHEMBL31670530 0.79 CNR2 (0.73) NPC1RAB9ACNR2ALDH1A1KDM4E

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 NPC1 303/4885RAB9A 3543/4885L3MBTL1 3927/4885

“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.

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