SCHEMBL6452037

SCHEMBL6452037

COc1ccc(F)c(-c2nc(-c3ccc(C(F)(F)F)cn3)n[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.41
KDM1A O60341 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PIM1 P11309 1/20 0.39
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
IDH2 P48735 1/20 0.36
DHODH Q02127 1/20 0.35
PTGES O14684 1/20 0.35
MAOB P27338 1/20 0.35
PIK3CA P42336 1/20 0.35
DGAT1 O75907 1/20 0.35
METAP2 P50579 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL6452660 0.88 GRK6 (0.45) GRK6NPC1RAB9ANPSR1LMNA
SCHEMBL6449821 0.87 MAPT (0.44) GRK6NPC1RAB9A
SCHEMBL6454205 0.81 NR1H2 (0.56) GRK6NPC1RAB9ANR1H2NR1H3
SCHEMBL6449668 0.80 SMN1; SMN2 (0.55) GRK6NPC1RAB9ANR1H2NR1H3
SCHEMBL6448859 0.77 GRK6 (0.44) GRK6NPC1RAB9ANPSR1
SCHEMBL6453051 0.76 THRB (0.39) NPC1RAB9ANPSR1
SCHEMBL6449912 0.76 GRK6 (0.46) GRK6GPBAR1PIM1NR1H2NR1H3
SCHEMBL6460671 0.75 SMN1; SMN2 (0.43) NPC1RAB9ANPSR1LMNAHCRTR1
SCHEMBL6448909 0.75 GRK6 (0.49) GRK6NPC1RAB9ANR1H2NR1H3
SCHEMBL15862966 0.75 KDM1A (0.54) GPBAR1KDM1ANPC1RAB9A

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 2654/4885GPBAR1 56/4885KDM1A 3319/4885

“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.