SCHEMBL16384137

SCHEMBL16384137

Cc1cc(C)nc(NC(=O)c2cc3c(s2)CCCC3)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.67
▸ NPC1 O15118 13/20 0.67
▸ RAB9A P51151 13/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ MEN1 O00255 6/20 0.67
▸ LMNA P02545 5/20 0.67
▸ STAT3 P40763 1/20 0.67
▸ STAT1 P42224 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ SMN1; SMN2 Q16637 12/20 0.66
▸ HPGD P15428 9/20 0.66
▸ MAPT P10636 4/20 0.66
▸ KDM4E B2RXH2 3/20 0.66
▸ HTT P42858 2/20 0.66
▸ NFKB1 P19838 4/20 0.64
▸ NFKB2 Q00653 4/20 0.64
▸ RELA Q04206 4/20 0.64
▸ TP53 P04637 4/20 0.64
▸ POLB P06746 4/20 0.62
▸ PKM P14618 2/20 0.59

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
SCHEMBL14917694 0.76 ALDH1A1 (0.97) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL17660254 0.74 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20787904 0.74 NPC1 (0.74) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791867 0.73 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791865 0.73 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL17664600 0.73 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL14916543 0.73 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20130531 0.73 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20788541 0.72 SMN1; SMN2 (0.60) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL14825278 0.71 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AKMT2AMEN1

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 144/4885RAB9A 1709/4885

“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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