SCHEMBL16334580

SCHEMBL16334580

Cc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.83
RAB9A P51151 3/20 0.83
MEN1 O00255 3/20 0.83
KMT2A Q03164 3/20 0.83
CASP3 P42574 2/20 0.83
SENP8 Q96LD8 2/20 0.83
SENP7 Q9BQF6 2/20 0.83
SENP6 Q9GZR1 2/20 0.83
MAOB P27338 9/20 0.81
MAOA P21397 4/20 0.81
AR P10275 2/20 0.81
TDP1 Q9NUW8 1/20 0.81
ACHE P22303 9/20 0.79
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA4 P22748 1/20 0.74
CA5A P35218 1/20 0.74
CA7 P43166 1/20 0.74
CA5B Q9Y2D0 1/20 0.74

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
SCHEMBL16334329 0.91 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL16334352 0.90 NPC1 (0.79) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL16334073 0.90 MAOB (0.80) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL16580069 0.90 NPC1 (0.79) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL28444530 0.90 MAOB (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29724368 0.90 MAOB (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL107774 0.89 MAOB (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL29382160 0.89 MAOB (1.00) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5617810 0.87 NPC1 (0.76) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL23012727 0.86 NPC1 (0.76) NPC1RAB9AMEN1KMT2ACASP3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 WO claimed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 WO disclosed
WO-2014210319-A2 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE 1 AS ANTI-PARASITIC COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-12-31 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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 NPC1 144/4885RAB9A 1709/4885MEN1 2845/4885

“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.