SCHEMBL26907873

SCHEMBL26907873

COc1ccc2c(c1)nnn2-c1ccc(CN[SH](=O)=O)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ GFER P55789 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NQO1 P15559 2/20 0.32
▸ NQO2 P16083 2/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ PDE10A Q9Y233 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RXRA P19793 2/20 0.31

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
SCHEMBL26907852 0.85 PDE2A (0.34) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL27115573 0.84 ENPP1 (0.40) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26907871 0.83 IDO1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL26907939 0.83 MAPT (0.35) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26907914 0.81 KCNMA1 (0.42) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26907882 0.80 NR1I2 (0.37) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26908003 0.80 RXRA (0.38) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26908016 0.79 SMURF1 (0.37) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL26907906 0.79 DHODH (0.36) MAPTALDH1A1TDP1LMNAGAA
SCHEMBL26907913 0.79 PDE2A (0.35) MAPTALDH1A1TDP1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US claimed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP claimed
CN-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — CN claimed
US-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF TXINNO BIOSCIENCE INC. (KR) 2024-04-11 — — US disclosed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP disclosed
CN-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — CN 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-20240116882-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF ENPP1, ENPP3, TPP1 MAPT 76/4885ALDH1A1 1912/4885MEN1 2183/4885

“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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