SCHEMBL6454834

SCHEMBL6454834

COc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.45
NPC1 O15118 3/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.39
TEK Q02763 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
LIMK1 P53667 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6452904 0.93 GRK6 (0.44) GRK6NPC1GAAMEN1ALOX15
SCHEMBL6449912 0.88 GRK6 (0.46) GRK6TEKLIMK1GPBAR1LIMK2
SCHEMBL6451144 0.86 HPGD (0.45) GRK6NPC1GAAMEN1ALOX15
SCHEMBL6448361 0.85 GRK6 (0.40) GRK6NPC1GAAKDM4EMGAM
SCHEMBL6451139 0.84 IDO1 (0.42) NPC1KDM4EF2F10PLG
SCHEMBL6451397 0.84 TDP1 (0.36) NPC1GAAMEN1ALOX15RAB9A
SCHEMBL6453630 0.84 IDO1 (0.41) NPC1MEN1ALOX15RAB9AKMT2A
SCHEMBL6461011 0.84 GRK6 (0.42) GRK6MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6452075 0.82 NR1H2 (0.55) GRK6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6454714 0.81 ADORA2A (0.53) NPC1ALOX15RAB9ASMN1; SMN2LMNA

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 GRK6 2654/4885NPC1 59/4885GAA 519/4885

“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.