SCHEMBL23787777

SCHEMBL23787777

COc1cc(-c2ccc(/N=N/c3c(N)c(S(=O)(=O)O)c4ccccc4c3N)c(OC)c2)ccc1/N=N/c1c(N)c(S(=O)(=O)O)c2ccccc2c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ THRB P10828 4/20 0.54
▸ RECQL P46063 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ BLM P54132 3/20 0.54
▸ APEX1 P27695 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ BRCA1 P38398 1/20 0.54
▸ SLC10A1 Q14973 1/20 0.54
▸ PHLPP2 Q6ZVD8 2/20 0.54
▸ ENPP2 Q13822 4/20 0.50

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
SCHEMBL23787719 0.92 MEN1 (0.57) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787779 0.85 THRB (0.41) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787783 0.85 THRB (0.56) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787668 0.84 THRB (0.57) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787584 0.84 PHLPP2 (0.65) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787619 0.82 THRB (0.66) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787532 0.82 ALDH1A1 (0.44) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL19154349 0.82 THRB (0.66) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787576 0.82 THRB (0.64) HPGDCYP3A4ALDH1A1THRBRECQL
SCHEMBL23787778 0.82 ALDH1A1 (0.46) HPGDCYP3A4ALDH1A1THRBRECQL

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-20210275548-A1 NOVEL DNA POLYMERASE GAMMA INHIBITOR AND USES THEREOF ACIBADEM MEHMET ALI AYDINLAR UNIVERSITESI (TR) 2021-09-09 — — 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-20210275548-A1 NOVEL DNA POLYMERASE GAMMA INHIBITOR AND USES THEREOF POLG, POLB, POLA1 HPGD 1140/4885CYP3A4 4334/4885ALDH1A1 3745/4885

“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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