SCHEMBL6448384

SCHEMBL6448384

Oc1ccc(F)cc1-c1nc(-c2ncccc2Br)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ADORA2A P29274 1/20 0.39
NPC1 O15118 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
CASP6 P55212 5/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
GRK6 P43250 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDE10A Q9Y233 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL6450762 0.88 GRK6 (0.46) IDO1NR1H2NR1H3ADORA2ANPC1
SCHEMBL6459163 0.88 GRK6 (0.42) NR1H2NR1H3ADORA2ANPC1DCUN1D1
SCHEMBL6454399 0.86 IDO1 (0.41) IDO1ADORA2ANPC1F2F10
SCHEMBL6448968 0.86 IDO1 (0.45) IDO1NR1H2NR1H3ADORA2ANPC1
SCHEMBL6450613 0.86 GRK6 (0.44) IDO1NR1H2NR1H3ADORA2ANPC1
SCHEMBL6451100 0.84 TRPV1 (0.43) IDO1ADORA2ANPC1F2F10
SCHEMBL6449760 0.84 ADORA2A (0.57) IDO1NR1H2NR1H3ADORA2ANPC1
SCHEMBL6461045 0.83 IDO1 (0.48) IDO1ADORA2ANPC1F2F10
SCHEMBL6450009 0.83 KMT2A (0.40) NR1H2NR1H3ADORA2ANPC1DCUN1D1
SCHEMBL6450070 0.83 GRK6 (0.47) NR1H2NR1H3NPC1F2F10

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 IDO1 2394/4885NR1H2 34/4885NR1H3 24/4885

“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.