SCHEMBL16384117

SCHEMBL16384117

CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 1.00
▸ LMNA P02545 5/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ MAPT P10636 7/20 0.70
▸ TP53 P04637 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ CREBBP Q92793 1/20 0.65
▸ NPC1 O15118 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ POLB P06746 5/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ HTT P42858 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.63
▸ HPGD P15428 2/20 0.63
▸ KCNH2 Q12809 1/20 0.62
▸ GAA P10253 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CYP3A4 P08684 1/20 0.60

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
SCHEMBL2183241 0.81 MAPT (0.76) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL23683079 0.79 CREBBP (1.00) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL13870838 0.79 ALDH1A1 (0.81) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL21528252 0.78 TSHR (1.00) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL29106508 0.77 MEN1 (0.76) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL30701883 0.77 MEN1 (0.76) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL29106507 0.77 MEN1 (0.71) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL8353423 0.76 LMNA (1.00) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3503699 0.76 GAA (1.00) TSHRLMNAMEN1KMT2AMAPT
SCHEMBL8970981 0.76 PTK2 (0.70) MEN1KMT2AMAPTTP53SMN1; SMN2

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 7 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-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

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 TSHR 4441/4885LMNA 2929/4885MEN1 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.

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