SCHEMBL26907954

SCHEMBL26907954

COc1ccc2c(c1)nnn2-c1ccc(CN[SH](=O)=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ TP53 P04637 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMO Q99835 2/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ WNT3A P56704 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL26907872 0.84 SMO (0.40) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL27124476 0.83 ENPP1 (0.49) TP53ALDH1A1SMN1; SMN2DYRK1APOLB
SCHEMBL26908003 0.81 RXRA (0.38) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL26907882 0.81 NR1I2 (0.37) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL26907939 0.80 MAPT (0.35) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL26908016 0.80 SMURF1 (0.37) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL26907946 0.80 SMN1; SMN2 (0.41) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL26907913 0.80 PDE2A (0.35) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL29069562 0.80 DYRK1A (0.39) MAPTALDH1A1SMN1; SMN2HCAR3DYRK1A
SCHEMBL26907955 0.78 KDM4E (0.38) MAPTKDM4ENPC1RAB9ATP53

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 4 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
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

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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