SCHEMBL26907846

SCHEMBL26907846

Cc1ccc2c(c1)nnn2-c1ccc(CN[SH](=O)=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.37
▸ NPC1 O15118 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMO Q99835 4/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 2/20 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
SCHEMBL26907908 0.87 SMO (0.33) KCNMA1RAB9ASMORXRAPPARG
SCHEMBL26907939 0.86 MAPT (0.35) NPC1RAB9ASMOALDH1A1KDM4E
SCHEMBL26907967 0.85 KCNMA1 (0.41) KCNMA1NPC1RAB9ASMOALDH1A1
SCHEMBL26907881 0.84 MAPT (0.37) SMOALDH1A1RXRAKDM4ESMN1; SMN2
SCHEMBL26907842 0.83 S1PR3 (0.35) SMOMAPT
SCHEMBL26907921 0.83 CHRM4 (0.36) RAB9ASMOALDH1A1KDM4EMAPT
SCHEMBL27115414 0.83 NR3C2 (0.40) KCNMA1NPC1RAB9ANAMPTALDH1A1
SCHEMBL29769981 0.83 NR3C2 (0.40) KCNMA1NPC1RAB9ANAMPTALDH1A1
SCHEMBL26907934 0.82 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL26907862 0.82 CHRM4 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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 2059/4885NPC1 3353/4885RAB9A 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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