SCHEMBL26907882

SCHEMBL26907882

COc1ccc2c(c1)nnn2-c1ccc(CN[SH](=O)=O)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL26908003 0.89 RXRA (0.38) NR1I2MAPTKDM4EALDH1A1TDP1
SCHEMBL26908016 0.88 SMURF1 (0.37) NR1I2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL26907939 0.88 MAPT (0.35) NR1I2L3MBTL1MAPTKDM4EALDH1A1
SCHEMBL26907955 0.86 KDM4E (0.38) NR1I2L3MBTL1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL26907872 0.84 SMO (0.40) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL29770020 0.83 ENPP1 (0.47) NR1I2L3MBTL1MAPTALDH1A1TDP1
SCHEMBL27115888 0.83 ENPP1 (0.47) NR1I2L3MBTL1MAPTALDH1A1TDP1
SCHEMBL26907946 0.82 SMN1; SMN2 (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL26907954 0.81 MAPT (0.38) L3MBTL1MAPTKDM4EALDH1A1TDP1
SCHEMBL26907873 0.80 MAPT (0.35) L3MBTL1MAPTKDM4EALDH1A1TDP1

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 NR1I2 3325/4885L3MBTL1 3217/4885MAPT 76/4885

“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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