SCHEMBL16384129

SCHEMBL16384129

CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
NPC1 O15118 7/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 5/20 0.46
HSP90AA1 P07900 2/20 0.46
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9729002 0.84 ALPL (0.51) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL9728941 0.78 NPC1 (0.67) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL7456210 0.77 LMNA (0.65) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL9728922 0.76 NPC1 (0.70) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL30387611 0.73 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9729182 0.73 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9728665 0.73 NPC1 (0.57) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL9728959 0.73 RAB9A (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL10974224 0.72 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8623578 0.70 TSHR (0.63) RAB9ANPC1SMN1; SMN2LMNAMEN1

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 RAB9A 1709/4885NPC1 144/4885SMN1; SMN2 4145/4885

“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.