SCHEMBL26907906

SCHEMBL26907906

COc1ccc2c(c1)nnn2-c1cc(F)c(CN[SH](=O)=O)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ STIM1 Q13586 1/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL26907871 0.87 IDO1 (0.38) DHODHLMNAL3MBTL1PDE2APDE10A
SCHEMBL26907837 0.84 KDM4E (0.31) KDM4E
SCHEMBL27118026 0.83 ENPP1 (0.41) DHODHLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL26907913 0.83 PDE2A (0.35) LMNAL3MBTL1PDE2APDE10AMAPT
Hydrochloric Acid SCHEMBL26907872 0.82 SMO (0.40) LMNAL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL26907939 0.81 MAPT (0.35) LMNAL3MBTL1PDE2APDE10AMAPT
SCHEMBL26907852 0.81 PDE2A (0.34) DHODHLMNAL3MBTL1PDE2APDE10A
SCHEMBL26907946 0.80 SMN1; SMN2 (0.41) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL26907873 0.79 MAPT (0.35) LMNAL3MBTL1PDE2APDE10AMAPT
SCHEMBL26907876 0.76 MAPT (0.34) LMNAL3MBTL1MAPTSMN1; SMN2ALDH1A1

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 DHODH 670/4885LMNA 4296/4885L3MBTL1 3217/4885

“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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