SCHEMBL26907946

SCHEMBL26907946

COc1ccc2c(c1)nnn2-c1cccc(CN[SH](=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMO Q99835 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HPGD P15428 6/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ TSHR P16473 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ S1PR4 O95977 2/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPBWR1 P48145 1/20 0.38

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
SCHEMBL26907866 0.89 ALDH1A1 (0.41) SMN1; SMN2POLBSMOHCAR3LMNA
Hydrochloric Acid SCHEMBL26907872 0.87 SMO (0.40) SMN1; SMN2POLBSMOHCAR3LMNA
SCHEMBL29769986 0.83 ENPP1 (0.45) SMN1; SMN2POLBHCAR3LMNAALDH1A1
SCHEMBL27115153 0.83 ENPP1 (0.45) SMN1; SMN2POLBHCAR3LMNAALDH1A1
SCHEMBL26908003 0.82 RXRA (0.38) SMN1; SMN2POLBSMOHCAR3LMNA
SCHEMBL26907882 0.82 NR1I2 (0.37) SMN1; SMN2POLBSMOLMNAALDH1A1
SCHEMBL26908002 0.81 ALDH1A1 (0.44) SMN1; SMN2POLBLMNAALDH1A1RAB9A
SCHEMBL26908016 0.81 SMURF1 (0.37) SMN1; SMN2POLBSMOLMNAALDH1A1
SCHEMBL26907871 0.81 IDO1 (0.38) SMN1; SMN2POLBLMNAALDH1A1KDM4E
SCHEMBL26907906 0.80 DHODH (0.36) SMN1; SMN2HCAR3LMNAALDH1A1RAB9A

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 SMN1; SMN2 2522/4885POLB 1453/4885SMO 4146/4885

“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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