SCHEMBL26908012

SCHEMBL26908012

COc1cc2nnn(-c3ccc(CN[SH](=O)=O)cc3)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MGAM O43451 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK6 Q16659 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
SCHEMBL26907911 0.92 ALDH1A1 (0.35) SMN1; SMN2LMNATSHRALDH1A1RAB9A
SCHEMBL26908033 0.88 CHRM4 (0.36) LMNAALDH1A1L3MBTL1POLBTDP1
SCHEMBL26907862 0.84 CHRM4 (0.36) SMN1; SMN2ALDH1A1RAB9AL3MBTL1GAA
SCHEMBL27123862 0.83 ENPP1 (0.42) SMN1; SMN2LMNAALDH1A1HTTGAA
SCHEMBL26907937 0.82 HDAC3 (0.40) SMN1; SMN2LMNAALDH1A1RAB9AKMT2A
Hydrochloric Acid SCHEMBL26907872 0.81 SMO (0.40) SMN1; SMN2LMNAALDH1A1RAB9AHPGD
SCHEMBL26907865 0.80 TSHR (0.36) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL26907888 0.80 GRM2 (0.42) SMN1; SMN2LMNATSHRALDH1A1HPGD
SCHEMBL26907848 0.78 FGFR1 (0.35) SMN1; SMN2LMNATSHRALDH1A1RAB9A
SCHEMBL26907944 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1RAB9AL3MBTL1TDP1

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 2522/4885LMNA 4296/4885TSHR 3964/4885

“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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