SCHEMBL26907871

SCHEMBL26907871

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ DHODH Q02127 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL26907906 0.87 DHODH (0.36) IDO1TDO2HPGDSMN1; SMN2ALDH1A1
SCHEMBL26907852 0.85 PDE2A (0.34) IDO1TDO2SMN1; SMN2ALDH1A1DHODH
SCHEMBL27123412 0.84 ENPP1 (0.40) IDO1TDO2HPGDSMN1; SMN2ALDH1A1
SCHEMBL26907873 0.83 MAPT (0.35) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL26907872 0.83 SMO (0.40) HPGDSMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL26907913 0.81 PDE2A (0.35) SMN1; SMN2ALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL26907946 0.81 SMN1; SMN2 (0.41) HPGDSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL26907939 0.79 MAPT (0.35) HPGDSMN1; SMN2ALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL26907994 0.77 NQO1 (0.41) HPGDSMN1; SMN2ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL26907910 0.74 MAPT (0.41) HPGDSMN1; SMN2ALDH1A1TSHRHSD17B10

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 IDO1 1181/4885TDO2 708/4885HPGD 1646/4885

“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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