SCHEMBL16384115

SCHEMBL16384115

COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.83
▸ TSHR P16473 5/20 0.68
▸ MAPT P10636 5/20 0.68
▸ USP2 O75604 2/20 0.68
▸ KDM4E B2RXH2 11/20 0.64
▸ ALDH1A1 P00352 10/20 0.64
▸ HPGD P15428 4/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ HSD17B10 Q99714 6/20 0.64
▸ ATM Q13315 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.55
▸ ESR1 P03372 1/20 0.54

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
SCHEMBL15528700 0.91 MAPK1 (1.00) MAPK1TSHRMAPTUSP2KDM4E
SCHEMBL31087262 0.77 MAPK1 (0.74) MAPK1TSHRMAPTKDM4EHSD17B10
SCHEMBL15528812 0.76 MAPK1 (0.71) MAPK1TSHRMAPTKDM4EALDH1A1
SCHEMBL17712451 0.76 TSHR (0.83) MAPK1TSHRMAPTUSP2KDM4E
SCHEMBL14252958 0.74 KDM4E (0.74) MAPK1TSHRMAPTKDM4EALDH1A1
SCHEMBL6638142 0.74 ATM (0.77) MAPK1TSHRMAPTKDM4EALDH1A1
SCHEMBL6638013 0.73 TSHR (0.73) MAPK1TSHRMAPTKDM4EALDH1A1
SCHEMBL3503699 0.72 GAA (1.00) MAPK1TSHRMAPTALDH1A1ATM
SCHEMBL28988455 0.72 ATM (0.78) MAPTKDM4EALDH1A1ATMMEN1
SCHEMBL14338360 0.71 TSHR (0.69) MAPK1TSHRMAPTKDM4EALDH1A1

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 MAPK1 1662/4885TSHR 4441/4885MAPT 2408/4885

“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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