SCHEMBL14029256

SCHEMBL14029256

O=C(O)/C=C1/N=C(Nc2nc3ccccc3o2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
GALK1 P51570 13/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
TSHR P16473 1/20 0.42
PLK4 O00444 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42

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
SCHEMBL880253 0.88 TDP1 (0.45) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL13310305 0.74 MAPT (0.45) RAB9AALDH1A1NPC1GAAGALK1
SCHEMBL880379 0.70 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL880267 0.69 RAB9A (0.46) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL15022003 0.68 RAB9A (0.78) RAB9AALDH1A1SMN1; SMN2NPC1GAA
Acetic Acid SCHEMBL7433376 0.67 NPC1 (0.81) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL4558136 0.66 SCD (0.66) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL2658434 0.66 NPC1 (1.00) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL3758935 0.65 NPC1 (0.71) RAB9AALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL23566353 0.65 SCD (0.63) RAB9AALDH1A1SMN1; SMN2NPC1GAA

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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT RAB9A 912/4885ALDH1A1 171/4885SMN1; SMN2 41/4885

“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.