SCHEMBL4069787

SCHEMBL4069787

C[S+]([O-])CCN1C(=O)C(N)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 11/20 0.50
KYAT1 Q16773 2/20 0.50
KYAT3 Q6YP21 2/20 0.50
GOT1 P17174 1/20 0.50
NOTUM Q6P988 1/20 0.38
CACNA1S Q13698 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
ANPEP P15144 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
SCHEMBL4069784 0.83 ALDH1A1 (0.38) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4064973 0.79 AADAT (0.60) AADATKYAT1KYAT3GOT1
SCHEMBL4073071 0.78 AADAT (0.52) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL5629416 0.78 CACNA1S (0.57) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL5628897 0.78 AADAT (0.52) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4064396 0.77 AADAT (0.51) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4242434 0.77 AADAT (0.57) AADATKYAT1KYAT3GOT1CHRM2
SCHEMBL27542522 0.75 AADAT (0.55) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4071608 0.74 AADAT (0.48) AADATKYAT1KYAT3GOT1CACNA1S
SCHEMBL4064400 0.74 AADAT (0.48) AADATKYAT1KYAT3GOT1CACNA1S

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 426/4885KYAT1 542/4885KYAT3 1050/4885

“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.