SCHEMBL26907939

SCHEMBL26907939

COc1ccc2c(c1)nnn2-c1ccc(CN[SH](=O)=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMO Q99835 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HCAR3 P49019 1/20 0.33
▸ NQO1 P15559 2/20 0.33
▸ NQO2 P16083 2/20 0.33
▸ NR1I2 O75469 1/20 0.32

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
SCHEMBL26907881 0.90 MAPT (0.37) MAPTKDM4EALDH1A1SMOSMN1; SMN2
SCHEMBL26907842 0.89 S1PR3 (0.35) MAPTTP53SMOPDE2A
SCHEMBL26907882 0.88 NR1I2 (0.37) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL26908003 0.88 RXRA (0.38) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL26907934 0.88 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL26908016 0.88 SMURF1 (0.37) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL26907913 0.87 PDE2A (0.35) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL26907953 0.87 CNR2 (0.43) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL29770004 0.87 CNR2 (0.43) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL26907921 0.86 CHRM4 (0.36) MAPTKDM4ERAB9AALDH1A1LMNA

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 MAPT 76/4885KDM4E 3385/4885NPC1 3353/4885

“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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