SCHEMBL16383923

SCHEMBL16383923

O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(Br)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 1.00
▸ MEN1 O00255 5/20 1.00
▸ TDP1 Q9NUW8 2/20 0.83
▸ POLB P06746 2/20 0.83
▸ RECQL P46063 1/20 0.83
▸ CTDSP1 Q9GZU7 1/20 0.83
▸ MAPT P10636 9/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ ALDH1A1 P00352 6/20 0.62
▸ HTT P42858 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ THRB P10828 1/20 0.62
▸ TSHR P16473 3/20 0.61
▸ KCNK3 O14649 1/20 0.60
▸ KCNK9 Q9NPC2 1/20 0.60
▸ RAB9A P51151 4/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 2/20 0.58

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
SCHEMBL12136717 0.91 KMT2A (1.00) KMT2AMEN1TDP1POLBRECQL
SCHEMBL23011772 0.83 KCNK3 (0.82) KMT2AMEN1TDP1POLBMAPT
SCHEMBL1861793 0.81 KMT2A (1.00) KMT2AMEN1TDP1POLBRECQL
SCHEMBL29684523 0.79 KMT2A (0.74) KMT2AMEN1TDP1POLBMAPT
SCHEMBL28844856 0.79 KMT2A (0.74) KMT2AMEN1TDP1POLBMAPT
SCHEMBL17712427 0.78 KMT2A (0.71) KMT2AMEN1POLBMAPTJAK2
SCHEMBL31337431 0.77 MAPT (0.70) KMT2AMEN1TDP1POLBMAPT
SCHEMBL10069478 0.76 KMT2A (0.67) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL3642839 0.76 MAPT (0.88) KMT2AMEN1TDP1POLBRECQL
SCHEMBL2532969 0.75 RAB9A (0.72) KMT2AMEN1TDP1POLBMAPT

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
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

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 KMT2A 2875/4885MEN1 2845/4885TDP1 878/4885

“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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