SCHEMBL26907866

SCHEMBL26907866

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ HCAR3 P49019 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ NPBWR1 P48145 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ S1PR4 O95977 1/20 0.37

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
SCHEMBL26907946 0.89 SMN1; SMN2 (0.41) ALDH1A1TSHRPOLBSMN1; SMN2HCAR3
Hydrochloric Acid SCHEMBL26907994 0.87 NQO1 (0.41) ALDH1A1POLBSMN1; SMN2NQO1NQO2
SCHEMBL27128150 0.84 CA1 (0.49) ALDH1A1TSHRPOLBSMN1; SMN2NQO1
SCHEMBL29770002 0.84 CA1 (0.49) ALDH1A1TSHRPOLBSMN1; SMN2NQO1
Hydrochloric Acid SCHEMBL29769994 0.81 TAAR1 (0.51) ALDH1A1TSHRPOLBSMN1; SMN2HCAR3
Hydrochloric Acid SCHEMBL26907868 0.81 TAAR1 (0.51) ALDH1A1TSHRPOLBSMN1; SMN2HCAR3
SCHEMBL26908002 0.79 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL26907872 0.78 SMO (0.40) ALDH1A1POLBSMN1; SMN2HCAR3MAPT
SCHEMBL29769986 0.77 ENPP1 (0.45) ALDH1A1POLBSMN1; SMN2HCAR3MAPT
SCHEMBL27115153 0.77 ENPP1 (0.45) ALDH1A1POLBSMN1; SMN2HCAR3MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1912/4885TSHR 3964/4885POLB 1453/4885

“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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