SCHEMBL6536796

SCHEMBL6536796

COc1cc(NI)c2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 6/20 0.55
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ CDC25C P30307 1/20 0.46
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42

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
SCHEMBL13352354 0.84 CDC25B (0.56) CDC25BCYP1A2CYP2A6RAB9ACDC25A
SCHEMBL1408380 0.79 CDC25B (0.71) CDC25BRAB9ACDC25ACDC25CALDH1A1
SCHEMBL30305264 0.77 CDC25B (0.64) CDC25BRAB9ACDC25ACDC25CKMT2A
SCHEMBL1416472 0.76 CDC25B (0.46) CDC25BCYP1A2CYP2A6RAB9ACDC25A
SCHEMBL21085317 0.76 CYP1A2 (0.52) CDC25BCYP1A2CYP2A6KMT2AMEN1
SCHEMBL443362 0.73 NQO1 (0.57) CDC25BCYP1A2CYP2A6KMT2AMEN1
SCHEMBL1161428 0.73 CYP2A6 (0.57) CDC25BCYP1A2CYP2A6RAB9AKMT2A
SCHEMBL5782272 0.73 CYP1A2 (0.54) CDC25BCYP1A2CYP2A6KMT2AMEN1
SCHEMBL30011882 0.73 CYP1A2 (0.54) CDC25BCYP1A2CYP2A6KMT2AMEN1
SCHEMBL29370537 0.73 NQO1 (0.57) CDC25BCYP1A2CYP2A6KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040096397-A1 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2004-05-20 — — 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-20040096397-A1 Sulfonated diarylrhodamine dyes POLL, DUT, DPYD CDC25B 2016/4885CYP1A2 3635/4885CYP2A6 2061/4885

“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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