SCHEMBL26907862

SCHEMBL26907862

COc1cc2nnn(-c3ccc(CN[SH](=O)=O)cc3F)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ MGAM O43451 1/20 0.30
▸ AMY1A P0DUB6 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SI P14410 1/20 0.30
▸ MGAM2 Q2M2H8 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL26907921 0.93 CHRM4 (0.36) CHRM4ALDH1A1L3MBTL1RAB9AGAA
SCHEMBL26907931 0.92 CHRM4 (0.37) CHRM4ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL27124539 0.84 ENPP1 (0.37) CHRM4ALDH1A1SMN1; SMN2NR1I2GAA
SCHEMBL29769987 0.84 ENPP1 (0.37) CHRM4ALDH1A1SMN1; SMN2NR1I2GAA
SCHEMBL26908012 0.84 SMN1; SMN2 (0.35) ALDH1A1L3MBTL1SMN1; SMN2RAB9AMGAM
SCHEMBL26907939 0.84 MAPT (0.35) ALDH1A1L3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL26907846 0.82 KCNMA1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL26908033 0.79 CHRM4 (0.36) CHRM4ALDH1A1L3MBTL1
SCHEMBL26907967 0.79 KCNMA1 (0.41) ALDH1A1SMN1; SMN2RAB9ANPC1MGAM
SCHEMBL26907908 0.78 SMO (0.33) RAB9A

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 CHRM4 3912/4885ALDH1A1 1912/4885L3MBTL1 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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