SCHEMBL4138689

SCHEMBL4138689

Nc1nc2c(OCP(=O)(O)O)cc(Cl)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
FBP1 P09467 10/20 0.45
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
NSD1 Q96L73 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4123151 0.84 NSD1 (0.51) ALDH1A1FBP1LMNAMAPTNSD1
SCHEMBL4139303 0.84 HSD17B10 (0.50) ALDH1A1FBP1LMNAMAPTNSD1
SCHEMBL4140328 0.83 FBP1 (0.44) ALDH1A1FBP1LMNAMAPTCYP3A4
SCHEMBL4128702 0.82 NPC1 (0.42) ALDH1A1FBP1LMNAMAPTNSD1
SCHEMBL4134264 0.82 FBP1 (0.42) ALDH1A1FBP1LMNAMAPTNSD1
SCHEMBL4124630 0.82 CYP2C19 (0.41) ALDH1A1FBP1LMNAMAPTNSD1
SCHEMBL4134396 0.79 FBP1 (0.42) ALDH1A1FBP1LMNAGAAPDE10A
SCHEMBL4289343 0.78 TDP1 (0.56) ALDH1A1FBP1LMNAMAPTCYP3A4
SCHEMBL4121084 0.76 FBP1 (0.40) FBP1NSD1GAA
SCHEMBL4133011 0.76 HTT (0.41) ALDH1A1FBP1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 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 (3 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 ALDH1A1 852/4885FBP1 1/4885LMNA 3965/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 ALDH1A1 1609/4885FBP1 1/4885LMNA 3896/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 ALDH1A1 1609/4885FBP1 1/4885LMNA 3896/4885

“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.