SCHEMBL6452047

SCHEMBL6452047

Oc1ccc(O)c(-c2nc(-c3ccc(C(F)(F)F)cn3)n[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
GRK6 P43250 1/20 0.40
SNCA P37840 1/20 0.38
GUSB P08236 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ADORA2A P29274 1/20 0.36
AMY1A P0DUB6 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36
NR2F2 P24468 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDR P35968 1/20 0.35
CASP3 P42574 2/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL6453795 0.91 GRK6 (0.42) NPSR1GRK6MEN1KMT2AADORA2A
SCHEMBL6451251 0.89 NPC1 (0.40) NPSR1MEN1KMT2ANPC1ADORA2A
SCHEMBL6450827 0.88 NPSR1 (0.38) NPSR1MEN1KMT2ANPC1ADORA2A
SCHEMBL6451336 0.88 IDO1 (0.43) NPSR1MEN1KMT2AADORA2AMAPT
SCHEMBL6451407 0.88 HPGD (0.48) NPSR1GRK6MEN1KMT2ANPC1
SCHEMBL6452660 0.85 GRK6 (0.45) NPSR1GRK6GUSBMEN1KMT2A
SCHEMBL6450106 0.85 ADORA2A (0.53) NPSR1MEN1KMT2ANPC1POLB
SCHEMBL6454836 0.84 GRK6 (0.48) NPSR1GRK6MEN1KMT2ANPC1
SCHEMBL6449821 0.82 MAPT (0.44) GRK6MEN1KMT2ANPC1MAPT
SCHEMBL6451280 0.78 GRK6 (0.48) NPSR1GRK6MEN1KMT2ANPC1

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 NPSR1 3086/4885GRK6 2654/4885SNCA 3870/4885

“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.