SCHEMBL1629471

SCHEMBL1629471

CCOc1cc(N)cc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NQO1 P15559 1/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ APP P05067 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL7043105 0.84 TP53 (0.61) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL2153419 0.84 TP53 (0.61) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL9503610 0.77 TP53 (0.53) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL14832881 0.77 CYP3A4 (0.53) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL16951845 0.77 NQO1 (0.42) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL600497 0.76 ALDH1A1 (0.46) CYP3A4TDP1MEN1KMT2AMAPT
SCHEMBL13960581 0.75 NQO1 (0.41) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL16951843 0.75 NQO1 (0.41) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL6251418 0.75 TP53 (0.52) TP53CYP3A4TDP1TSHRNQO1
SCHEMBL30345364 0.75 TP53 (0.52) TP53CYP3A4TDP1TSHRNQO1

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
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 — — EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 — — US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 — — EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 — — US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 — — 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H TP53 1543/4885CYP3A4 834/4885TDP1 2545/4885

“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.

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