SCHEMBL4069784

SCHEMBL4069784

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
AADAT Q8N5Z0 2/20 0.37
GOT1 P17174 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 3/20 0.36
CACNA1S Q13698 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
XIAP P98170 2/20 0.35
PKM P14618 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
SCHEMBL4069787 0.83 AADAT (0.50) AADATGOT1KYAT1KYAT3CACNA1S
SCHEMBL4064970 0.82 PYGL (0.44) ALDH1A1TSHRAADATGOT1KYAT1
SCHEMBL4073069 0.81 PYGL (0.47) ALDH1A1TSHRAADATGOT1KYAT1
SCHEMBL4242431 0.80 PYGL (0.46) AADATGOT1KYAT1KYAT3HDAC6
SCHEMBL4064393 0.80 PYGL (0.48) ALDH1A1TSHRAADATGOT1KYAT1
SCHEMBL4064399 0.77 MTNR1A (0.42) ALDH1A1AADATGOT1KYAT1KYAT3
Trifluoroacetic Acid SCHEMBL4063965 0.76 F2 (0.38) ALDH1A1AADATGOT1KYAT1KYAT3
SCHEMBL4064789 0.76 POLB (0.47) ALDH1A1TSHRAADATGOT1KYAT1
SCHEMBL4067574 0.75 PYGL (0.46) ALDH1A1TSHRAADATGOT1KYAT1
SCHEMBL4067680 0.74 PYGL (0.36) ALDH1A1TSHRAADATGOT1KYAT1

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 ALDH1A1 397/4885TSHR 3455/4885AADAT 426/4885

“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.