SCHEMBL6448795

SCHEMBL6448795

O=C(NNC(=O)c1ncccc1C(F)(F)F)c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.54
RAB9A P51151 2/20 0.51
TLR7 Q9NYK1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
CNR2 P34972 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6448406 0.86 TLR7 (0.56) RAB9ATLR7ALDH1A1NPC1SMN1; SMN2
SCHEMBL6452299 0.85 L3MBTL1 (0.51) RAB9ATLR7ALDH1A1NPC1SMN1; SMN2
SCHEMBL6454315 0.82 KAT6A (0.65) KAT6ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6467701 0.82 SMN1; SMN2 (0.54) RAB9AALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL6461094 0.80 SMN1; SMN2 (0.51) KAT6ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL15988703 0.78 CTNNB1 (0.58) KAT6ACNR2
SCHEMBL6450415 0.75 ALDH1A1 (0.70) KAT6ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL7047527 0.75 P2RX7 (0.47) TLR7GAALMNACNR2TRPV1
SCHEMBL5709026 0.74 TRPV1 (0.60) ALDH1A1GAALMNAKDM4ETRPV1
SCHEMBL9830646 0.74 GAA (0.75) KAT6ARAB9ASMN1; SMN2GAALMNA

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 1 patent. 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

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 KAT6A 1911/4885RAB9A 2483/4885TLR7 961/4885

“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.