SCHEMBL12229751

SCHEMBL12229751

[C-]#[N+]c1cc(F)cc(P(=O)(OCC)OCC)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
UTRN P46939 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL12229789 0.85 ALDH1A1 (0.34) ALDH1A1UTRN
SCHEMBL4148573 0.83 POLB (0.39) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL12229747 0.83 MEN1 (0.34) MEN1KMT2APOLBTDP1NPSR1
SCHEMBL12229691 0.76 MEN1 (0.47) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL12229721 0.76 TDP1 (0.38) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL12229748 0.76 POLB (0.34) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL12229713 0.73 LMNA (0.40) MEN1KMT2APOLBALDH1A1UTRN
SCHEMBL12252174 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL578222 0.71 POLB (0.38) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL27660907 0.70 NPSR1 (0.47) MEN1KMT2APOLBALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 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-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT MEN1 3483/4885KMT2A 1767/4885POLB 712/4885

“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.