SCHEMBL6448644

SCHEMBL6448644

O=C(NNC(=O)c1ccccc1F)c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA9 Q16790 1/20 0.62
NPC1 O15118 5/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
L1CAM P32004 1/20 0.59
RAB9A P51151 7/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 3/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTT P42858 1/20 0.57
MPO P05164 1/20 0.57
HIF1A Q16665 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55

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
SCHEMBL6450415 0.90 ALDH1A1 (0.70) NPC1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL77381 0.88 CA1 (0.77) CA1CA9NPC1ALDH1A1SMN1; SMN2
SCHEMBL5148434 0.82 ALDH1A1 (0.66) NPC1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL20233039 0.81 RAB9A (0.69) NPC1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL6636585 0.80 CA1 (0.79) CA1CA9NPC1ALDH1A1SMN1; SMN2
SCHEMBL6469178 0.79 RAB9A (0.66) NPC1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL2701324 0.79 HTT (0.76) NPC1ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL23978398 0.78 KDM4E (0.65) CA1CA9NPC1ALDH1A1SMN1; SMN2
SCHEMBL6638020 0.78 NPC1 (0.74) CA1CA9NPC1ALDH1A1SMN1; SMN2
SCHEMBL1169719 0.78 CA1 (0.65) CA1CA9NPC1ALDH1A1SMN1; SMN2

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 CA1 4432/4885CA9 3177/4885NPC1 59/4885

“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.