SCHEMBL16384058

SCHEMBL16384058

O=C(NC(=O)c1ccccc1)Nc1cc(N2CCOCC2)ncn1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.83
▸ NPC1 O15118 3/20 0.83
▸ ATM Q13315 1/20 0.83
▸ RAB9A P51151 5/20 0.65
▸ EGFR P00533 2/20 0.65
▸ ERBB3 P21860 2/20 0.65
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ KDM4E B2RXH2 4/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ USP2 O75604 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TP53 P04637 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ GAA P10253 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PIK3CB P42338 1/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ EPHX1 P07099 1/20 0.51

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
SCHEMBL19068043 0.84 ALDH1A1 (0.78) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL29446089 0.74 SMN1; SMN2 (0.74) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL27330852 0.74 ABL1 (0.66) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL821715 0.73 NPC1 (0.69) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL5029684 0.71 PIK3CB (1.00) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL2169030 0.70 MAPT (0.78) ALDH1A1NPC1ATMRAB9ASMN1; SMN2
SCHEMBL28051953 0.69 NPC1 (0.56) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL5559730 0.69 GAA (0.59) ALDH1A1NPC1ATMRAB9ASMN1; SMN2
SCHEMBL5029660 0.69 PIK3CB (0.58) ALDH1A1NPC1ATMRAB9AEGFR
SCHEMBL1597538 0.69 PIK3CB (0.58) ALDH1A1NPC1ATMRAB9AEGFR

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 ALDH1A1 982/4885NPC1 144/4885ATM 4793/4885

“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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