SCHEMBL9155132

SCHEMBL9155132

Nc1ccc(-c2nc3ncccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 1.00
RAB9A P51151 12/20 1.00
ALDH1A1 P00352 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
HPGD P15428 6/20 0.65
HSD17B10 Q99714 4/20 0.65
TP53 P04637 2/20 0.65
ALOX12 P18054 1/20 0.65
HAVCR2 Q8TDQ0 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 6/20 0.61
KDM4E B2RXH2 6/20 0.61
GAA P10253 5/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.58
POLB P06746 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
GFER P55789 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL12910353 0.90 NPC1 (0.81) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12910367 0.85 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL1675417 0.84 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL2249527 0.83 RAB9A (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL941615 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL9868181 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL17391943 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4143617 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL19380251 0.83 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL21249244 0.83 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
EP-0284567-B1 Cationic azo dyes CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
US-4880916-A COLORFAST; FOR PAPER, TEXTILES, LEATHER CIBA-GEIGY CORPORATION (US) 1989-11-14 US disclosed
US-4880916-A COLORFAST; FOR PAPER, TEXTILES, LEATHER CIBA-GEIGY CORPORATION (US) 1989-11-14 US disclosed
EP-0284567-A2 Cationic azo dyes CIBA-GEIGY AG (CH) 1988-09-28 EP 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 NPC1 144/4885RAB9A 1709/4885ALDH1A1 982/4885

“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.