SCHEMBL26907914

SCHEMBL26907914

O=[SH](=O)NCc1ccc(-n2nnc3ccccc32)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.42
▸ KMT2A Q03164 4/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ CYP4Z1 Q86W10 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 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
SCHEMBL26907873 0.81 MAPT (0.35) KMT2ARAB9AMAPTALDH1A1MEN1
SCHEMBL27117751 0.81 KCNMA1 (0.43) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL26907967 0.80 KCNMA1 (0.41) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL14610056 0.74 KCNMA1 (0.54) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL26907875 0.74 KMT2A (0.41) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL26907944 0.73 SMN1; SMN2 (0.43) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL23694613 0.68 KCNMA1 (0.47) KCNMA1KMT2ARAB9ACYP4Z1ESR1
SCHEMBL25020407 0.66 KCNMA1 (0.55) KCNMA1RAB9AMAPTALDH1A1LMNA
SCHEMBL25021088 0.66 KCNMA1 (0.55) KCNMA1KMT2ARAB9AMAPTALDH1A1
SCHEMBL26907908 0.65 SMO (0.33) KCNMA1RAB9AESR1

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 KCNMA1 2059/4885KMT2A 2922/4885RAB9A 3305/4885

“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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