SCHEMBL4064399

SCHEMBL4064399

CS(=O)(=O)NCCN1C(=O)C(C(N)=O)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
PYGL P06737 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A2 P23975 2/20 0.37
AADAT Q8N5Z0 2/20 0.36
GOT1 P17174 1/20 0.36
KYAT1 Q16773 1/20 0.36
KYAT3 Q6YP21 1/20 0.36
OXTR P30559 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4064393 0.85 PYGL (0.48) MTNR1AMTNR1BPYGLAADATGOT1
SCHEMBL4064400 0.83 AADAT (0.48) MTNR1AMTNR1BPYGLOPRM1OPRL1
SCHEMBL4064970 0.80 PYGL (0.44) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4073069 0.79 PYGL (0.47) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4242431 0.78 PYGL (0.46) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4069784 0.77 ALDH1A1 (0.38) AADATGOT1KYAT1KYAT3MEN1
Trifluoroacetic Acid SCHEMBL4063965 0.74 F2 (0.38) AADATGOT1KYAT1KYAT3ALDH1A1
SCHEMBL4064789 0.74 POLB (0.47) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4067884 0.74 PYGL (0.50) MTNR1AMTNR1BPYGLALDH1A1
SCHEMBL4067574 0.73 PYGL (0.46) PYGLAADATGOT1KYAT1KYAT3

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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed
EP-1819332-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES Prosidion Limited (GB) 2007-08-22 EP disclosed
WO-2006059164-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2006-06-08 WO 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 MTNR1A 3145/4885MTNR1B 2723/4885PYGL 104/4885

“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.