SCHEMBL4128227

SCHEMBL4128227

COc1c(Br)cc(O)c2nc(N)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD1 Q96L73 2/20 0.46
HTT P42858 2/20 0.45
TPMT P51580 1/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NQO2 P16083 1/20 0.36
PDPK1 O15530 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4141913 0.83 CYP3A4 (0.43) NSD1HTTCYP3A4TDP1NQO2
SCHEMBL4133666 0.74 FBP1 (0.39) HTTCYP3A4TDP1MEN1KMT2A
SCHEMBL1282780 0.72 SMN1; SMN2 (0.44) HTTCYP3A4NQO2HSD17B10SMN1; SMN2
SCHEMBL19783248 0.71 ALDH1A1 (0.42) HTTCYP3A4TDP1HSD17B10MEN1
SCHEMBL30189744 0.71 ALDH1A1 (0.42) HTTCYP3A4TDP1HSD17B10MEN1
SCHEMBL25339259 0.70 CYP3A4 (0.45) CYP3A4TDP1NQO2HSD17B10MEN1
SCHEMBL29682132 0.70 CYP3A4 (0.45) CYP3A4TDP1NQO2HSD17B10MEN1
SCHEMBL25347414 0.70 ALDH1A1 (0.53) NSD1CYP3A4TDP1NQO2HSD17B10
SCHEMBL29513993 0.70 ALDH1A1 (0.53) NSD1CYP3A4TDP1NQO2HSD17B10
SCHEMBL25344422 0.69 HSD17B10 (0.36) HTTCYP3A4TDP1HSD17B10SMN1; 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 5 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
CN-1434828-A Novel bisaminophosphonate prodrugs METABASIS THERAPEUTICS INC (US) 2003-08-06 CN 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 NSD1 3958/4885HTT 4353/4885TPMT 975/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 NSD1 3814/4885HTT 4308/4885TPMT 698/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 NSD1 3814/4885HTT 4308/4885TPMT 698/4885

“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.