SCHEMBL4064970

SCHEMBL4064970

NC(=O)C1Cc2ccccc2N(CCO)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.44
AADAT Q8N5Z0 2/20 0.42
GOT1 P17174 1/20 0.42
KYAT1 Q16773 1/20 0.42
KYAT3 Q6YP21 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1S Q13698 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4242431 0.92 PYGL (0.46) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4073069 0.84 PYGL (0.47) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4064393 0.83 PYGL (0.48) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4069784 0.82 ALDH1A1 (0.38) AADATGOT1KYAT1KYAT3ALDH1A1
Trifluoroacetic Acid SCHEMBL4063965 0.82 F2 (0.38) AADATGOT1KYAT1KYAT3HTR2A
SCHEMBL4063656 0.82 AADAT (0.47) PYGLAADATHTR2A
SCHEMBL4067884 0.81 PYGL (0.50) PYGLKDM4EALDH1A1TSHR
SCHEMBL4064973 0.81 AADAT (0.60) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4067574 0.81 PYGL (0.46) PYGLAADATGOT1KYAT1KYAT3
SCHEMBL4064399 0.80 MTNR1A (0.42) 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 PYGL 104/4885AADAT 426/4885GOT1 19/4885

“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.