SCHEMBL17712427

SCHEMBL17712427

O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc2ccccc2o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.71
▸ MEN1 O00255 7/20 0.71
▸ MAPT P10636 6/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ KDM4E B2RXH2 2/20 0.70
▸ CACNA1B Q00975 1/20 0.70
▸ APBA1 Q02410 1/20 0.70
▸ NPC1 O15118 11/20 0.67
▸ RAB9A P51151 10/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.67
▸ TP53 P04637 6/20 0.67
▸ PKM P14618 3/20 0.67
▸ MAPK1 P28482 3/20 0.67
▸ NFKB1 P19838 1/20 0.65
▸ NFKB2 Q00653 1/20 0.65
▸ RELA Q04206 1/20 0.65
▸ TSHR P16473 4/20 0.64
▸ LMNA P02545 2/20 0.64
▸ NLRP3 Q96P20 1/20 0.64

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
SCHEMBL23011772 0.81 KCNK3 (0.82) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL19828201 0.81 RAB9A (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5866982 0.80 NPC1 (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16383923 0.78 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL29848069 0.77 MAPT (1.00) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL17318526 0.77 POLB (0.63) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13779379 0.76 NPC1 (0.68) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL30398266 0.75 NPC1 (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL29013034 0.75 NPC1 (1.00) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2529744 0.74 LMNA (0.69) KMT2AMEN1MAPTALDH1A1POLB

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 6 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

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 2845/4885MAPT 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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