SCHEMBL26908007

SCHEMBL26908007

O=[SH](=O)NCc1ccc(-n2nnc3cc(OC(F)(F)F)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ PIM1 P11309 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.35
▸ NR3C1 P04150 2/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ SLC5A1 P13866 1/20 0.34
▸ SLC5A2 P31639 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL26907934 0.85 SMN1; SMN2 (0.34) SMN1; SMN2PIM1P2RX7BRD4
Hydrochloric Acid SCHEMBL26907872 0.84 SMO (0.40) SMN1; SMN2L3MBTL1HPGDNPC1KDM4E
SCHEMBL27124552 0.83 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1PIM1HPGDNPC1
SCHEMBL26907937 0.76 HDAC3 (0.40) SMN1; SMN2PIM1NPC1KDM4ERAB9A
SCHEMBL26907944 0.76 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1NPC1KDM4ERAB9A
SCHEMBL26907911 0.75 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1HPGDKDM4ERAB9A
SCHEMBL26907946 0.74 SMN1; SMN2 (0.41) SMN1; SMN2HPGDNPC1KDM4ERAB9A
SCHEMBL26908033 0.74 CHRM4 (0.36) L3MBTL1PIM1MEN1KMT2A
Hydrochloric Acid SCHEMBL26907994 0.74 NQO1 (0.41) SMN1; SMN2L3MBTL1HPGDKDM4EKMT2A
SCHEMBL26908012 0.72 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1HPGDKDM4ERAB9A

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 SMN1; SMN2 2522/4885L3MBTL1 3217/4885PIM1 2925/4885

“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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