SCHEMBL1109845

SCHEMBL1109845

[CH2]CCOc1ccc(C(N)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 16/20 0.68
PARP15 Q460N3 6/20 0.55
PARP4 Q9UKK3 2/20 0.55
PARP14 Q460N5 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
PARP16 Q8N5Y8 1/20 0.55
PARP11 Q9NR21 1/20 0.55
PARP2 Q9UGN5 3/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
MAOB P27338 3/20 0.51
TBXAS1 P24557 1/20 0.51
PRSS1 P07477 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL1344671 0.84 PARP10 (0.66) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL1109902 0.82 PKM (0.69) ALDH1A1
SCHEMBL77571 0.82 PARP10 (0.70) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL6122034 0.82 PARP10 (0.70) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL4687732 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
Hydrochloric Acid SCHEMBL12502964 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL3085074 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL4687508 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
Water SCHEMBL5055924 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL1977030 0.81 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1

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-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 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 (2 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 PARP10 1868/4885PARP15 3326/4885PARP4 4270/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 PARP10 3931/4885PARP15 3449/4885PARP4 4390/4885

“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.