SCHEMBL6459405

SCHEMBL6459405

FC(F)(F)c1ccc(-c2n[nH]c(-c3cccc4ccccc34)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALPL P05186 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDR P35968 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 3/20 0.36
CNR2 P34972 2/20 0.36
HPGDS O60760 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6450106 0.84 ADORA2A (0.53) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL6449108 0.82 MAPT (0.39) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL13247920 0.81 MAPT (0.47) NPC1RAB9AL3MBTL1NPSR1CYP1A2
SCHEMBL6448592 0.78 SMN1; SMN2 (0.67) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL6449955 0.78 JAK2 (0.49) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL6460671 0.78 SMN1; SMN2 (0.43) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL7049003 0.77 SMN1; SMN2 (0.62) NPC1SMN1; SMN2RAB9AL3MBTL1HSD17B10
SCHEMBL6448407 0.76 HPGD (0.43) SMN1; SMN2L3MBTL1HSD17B10NPSR1KDR
SCHEMBL6454632 0.75 ALDH1A1 (0.53) NPC1SMN1; SMN2RAB9AL3MBTL1ALPL
SCHEMBL6452047 0.75 NPSR1 (0.41) NPC1RAB9AHSD17B10NPSR1ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC NPC1 59/4885SMN1; SMN2 4633/4885RAB9A 2483/4885

“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.