SCHEMBL4064400

SCHEMBL4064400

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.48
GOT1 P17174 1/20 0.48
KYAT1 Q16773 1/20 0.48
KYAT3 Q6YP21 1/20 0.48
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTT P42858 2/20 0.39
PYGL P06737 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A2 P23975 3/20 0.37
KDM1A O60341 2/20 0.37
CACNA1S Q13698 1/20 0.36
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL4064399 0.83 MTNR1A (0.42) AADATGOT1KYAT1KYAT3MTNR1A
SCHEMBL4064396 0.83 AADAT (0.51) AADATGOT1KYAT1KYAT3PYGL
SCHEMBL4064973 0.77 AADAT (0.60) AADATGOT1KYAT1KYAT3PYGL
SCHEMBL5628897 0.76 AADAT (0.52) AADATGOT1KYAT1KYAT3HTT
SCHEMBL5629416 0.76 CACNA1S (0.57) AADATGOT1KYAT1KYAT3OPRM1
SCHEMBL4073071 0.76 AADAT (0.52) AADATGOT1KYAT1KYAT3PYGL
SCHEMBL4242434 0.75 AADAT (0.57) AADATGOT1KYAT1KYAT3HTT
SCHEMBL4069787 0.74 AADAT (0.50) AADATGOT1KYAT1KYAT3CACNA1S
SCHEMBL27542522 0.73 AADAT (0.55) AADATGOT1KYAT1KYAT3CACNA1S
SCHEMBL4071608 0.72 AADAT (0.48) AADATGOT1KYAT1KYAT3PYGL

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 AADAT 426/4885GOT1 19/4885KYAT1 542/4885

“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.