SCHEMBL5776766

SCHEMBL5776766

Cc1ccccc1/C=C/c1nc2ccccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 1.00
▸ NPC1 O15118 13/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ POLB P06746 4/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ CASP3 P42574 3/20 1.00
▸ SENP7 Q9BQF6 3/20 1.00
▸ SENP6 Q9GZR1 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ GAA P10253 3/20 1.00
▸ SENP8 Q96LD8 2/20 1.00
▸ MAPT P10636 2/20 1.00
▸ BLM P54132 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ LMNA P02545 3/20 0.72
▸ TDP1 Q9NUW8 1/20 0.71
▸ ABL1 P00519 1/20 0.70
▸ LCK P06239 1/20 0.70
▸ LYN P07948 1/20 0.70
▸ SRC P12931 1/20 0.70

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
SCHEMBL5776769 1.00 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL3533833 0.84 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL3533832 0.84 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL17712436 0.83 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL16383880 0.83 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL1508832 0.80 TUBB4A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL30725598 0.80 TUBB4A (0.71) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL1508835 0.80 TUBB4A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL12692529 0.80 RAB9A (1.00) RAB9ANPC1KDM4EPOLBALDH1A1
SCHEMBL12066528 0.79 TUBB4A (0.74) RAB9ANPC1KDM4EPOLBALDH1A1

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 13 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 claimed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — US claimed
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 claimed
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
EP-1558260-A4 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2006-10-25 — — EP disclosed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 — — EP disclosed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 — — 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 RAB9A 1709/4885NPC1 144/4885KDM4E 3989/4885

“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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