SCHEMBL6450108

SCHEMBL6450108

Fc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.46
TRPA1 O75762 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
KDR P35968 1/20 0.36
PIM1 P11309 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALPL P05186 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6454617 0.87 JAK2 (0.40) TRPA1SMN1; SMN2SLC22A12CYP11B1CYP11B2
SCHEMBL6454714 0.86 ADORA2A (0.53) DCUN1D1SMN1; SMN2SLC22A12NPY5RKDR
SCHEMBL6456566 0.86 NR1H2 (0.53) DCUN1D1TRPA1SMN1; SMN2SLC22A12NPY5R
SCHEMBL6448860 0.86 SMN1; SMN2 (0.53) DCUN1D1TRPA1SMN1; SMN2SLC22A12NPY5R
SCHEMBL6449864 0.85 CYP1A2 (0.39) TRPA1SMN1; SMN2SLC22A12NPY5RCYP11B1
SCHEMBL9829917 0.84 DCUN1D1 (0.49) DCUN1D1TRPA1SMN1; SMN2NR1H2NR1H3
SCHEMBL6453951 0.82 JAK2 (0.50) TRPA1SMN1; SMN2CYP11B1CYP11B2NR1H2
SCHEMBL3199930 0.81 L3MBTL1 (0.58) SMN1; SMN2NPY5RKDRNPC1ALPL
SCHEMBL6449912 0.80 GRK6 (0.46) SLC22A12CYP11B1CYP11B2PIM1NR1H2
SCHEMBL6453081 0.80 SMN1; SMN2 (0.44) TRPA1SMN1; SMN2CYP11B1CYP11B2NR1H2

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 DCUN1D1 3978/4885TRPA1 2950/4885SMN1; SMN2 4633/4885

“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.