SCHEMBL6453136

SCHEMBL6453136

C[Si](C)(C)C#Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
PAX8 Q06710 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7469510 0.78 PDE10A (0.53) FFAR1PDE10AALDH1A1POLBCYP1A2
SCHEMBL126343 0.76 PDE10A (0.51) FFAR1PDE10AALDH1A1POLBCYP1A2
SCHEMBL6970708 0.76 PDE10A (0.51) FFAR1PDE10AALDH1A1POLBCYP1A2
SCHEMBL30832623 0.76 PDE10A (0.51) FFAR1PDE10AALDH1A1POLBCYP1A2
SCHEMBL2910616 0.75 HSD17B10 (0.46) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL317935 0.74 KMT2A (0.37) PDE10AALDH1A1POLBCYP1A2CYP2C9
SCHEMBL15966340 0.72 NOS3 (0.42) RAB9ALMNAL3MBTL1
SCHEMBL13717105 0.71 TDP1 (0.43) PDE10AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21523653 0.70 GRM5 (0.35) L3MBTL1
SCHEMBL5925876 0.70 NOS3 (0.36) ALDH1A1CYP1A2CYP2C9MEN1KMT2A

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 FFAR1 3436/4885PDE10A 3359/4885ALDH1A1 287/4885

“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.