SCHEMBL16334021

SCHEMBL16334021

O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccco1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 0.87
▸ NPC1 O15118 16/20 0.87
▸ ALDH1A1 P00352 5/20 0.87
▸ KDM4E B2RXH2 4/20 0.87
▸ POLB P06746 1/20 0.87
▸ HPGD P15428 1/20 0.87
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ MAPT P10636 4/20 0.76
▸ CASP3 P42574 2/20 0.76
▸ SENP8 Q96LD8 2/20 0.76
▸ SENP7 Q9BQF6 2/20 0.76
▸ SENP6 Q9GZR1 2/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ NFKB1 P19838 1/20 0.76
▸ NFKB2 Q00653 1/20 0.76
▸ RELA Q04206 1/20 0.76
▸ TP53 P04637 3/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.70
▸ PKM P14618 2/20 0.66

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
SCHEMBL3407604 0.93 RAB9A (1.00) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28466466 0.91 RAB9A (0.74) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28466740 0.90 RAB9A (0.72) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28462117 0.90 RAB9A (0.72) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL18562683 0.89 RAB9A (0.71) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28227104 0.89 RAB9A (0.71) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28466244 0.88 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28465862 0.88 RAB9A (0.68) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL28960071 0.87 RAB9A (0.67) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL21682162 0.87 RAB9A (0.70) RAB9ANPC1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US claimed
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-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 RAB9A 1709/4885NPC1 144/4885ALDH1A1 982/4885

“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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