SCHEMBL3544229

SCHEMBL3544229

CNCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.63
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL16392598 1.00 ACHE (0.63) ACHETDP1L3MBTL1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL23727351 0.98 ACHE (0.61) ACHETDP1L3MBTL1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL30080011 0.98 ACHE (0.61) ACHETDP1L3MBTL1MEN1ALDH1A1
SCHEMBL31440045 0.98 ACHE (0.60) ACHETDP1L3MBTL1MEN1ALDH1A1
SCHEMBL2401234 0.98 ACHE (0.60) ACHETDP1L3MBTL1MEN1ALDH1A1
SCHEMBL13589924 0.93 MEN1 (0.56) ACHEMEN1KMT2A
SCHEMBL30839867 0.85 GLS (0.55) ACHEMEN1KMT2A
SCHEMBL4388842 0.85 GLS (0.55) ACHEMEN1KMT2A
SCHEMBL6777483 0.85 TDP1 (0.75) ACHETDP1L3MBTL1MEN1KMT2A
SCHEMBL8862878 0.85 TDP1 (0.75) ACHETDP1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11591313-B2 Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) and methods of use thereof Stingray Therapeutics, Inc. (US) 2023-02-28 US disclosed
US-20210253556-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF Stingray Therapeutics, Inc. 2021-08-19 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-09 US disclosed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US 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 (5 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-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 ACHE 289/4885TDP1 4000/4885L3MBTL1 1101/4885
US-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ACHE 939/4885TDP1 164/4885L3MBTL1 2373/4885
US-20090176767-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ACHE 289/4885TDP1 4000/4885L3MBTL1 1101/4885
US-11591313-B2 Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) and methods of use thereof ENPP1, ENPP3, PPA1 ACHE 939/4885TDP1 164/4885L3MBTL1 2373/4885
US-20210253556-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ACHE 939/4885TDP1 164/4885L3MBTL1 2373/4885

“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.