SCHEMBL2923680

SCHEMBL2923680

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.65
▸ RAB9A P51151 11/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ HPGD P15428 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
▸ MLLT1 Q03111 1/20 0.56
▸ HTR2B P41595 1/20 0.54
▸ ERN1 O75460 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ANO1 Q5XXA6 1/20 0.52
▸ KDM4E B2RXH2 2/20 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
SCHEMBL6226380 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL24746236 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL2920786 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL13304158 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL9295949 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL19144621 0.80 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL3134481 0.80 KMT2A (0.60) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL507568 0.80 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL507865 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL12217594 0.80 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 NPC1 303/4885RAB9A 3543/4885SMN1; 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.

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