SCHEMBL4067680

SCHEMBL4067680

CC(C)(C)[Si](C)(C)OCCN1C(=O)C(C(N)=O)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.36
CACNA1S Q13698 2/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
AADAT Q8N5Z0 2/20 0.34
GOT1 P17174 1/20 0.34
KYAT1 Q16773 1/20 0.34
KYAT3 Q6YP21 1/20 0.34
DUT P33316 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4072393 0.94 DUT (0.39) CACNA1SALDH1A1TSHRDUT
SCHEMBL4075298 0.86 SMN1; SMN2 (0.33) PYGLALDH1A1DUTMEN1KMT2A
SCHEMBL4070055 0.86 AADAT (0.38) CACNA1STSHRAADATDUTMEN1
SCHEMBL4063329 0.85 DUT (0.33) ALDH1A1DUTMEN1KMT2A
SCHEMBL4067713 0.84 AADAT (0.45) PYGLCACNA1SAADATGOT1KYAT1
SCHEMBL4067683 0.84 AADAT (0.45) PYGLCACNA1SAADATGOT1KYAT1
SCHEMBL4072394 0.78 AADAT (0.43) PYGLCACNA1SAADATGOT1KYAT1
SCHEMBL4064970 0.78 PYGL (0.44) PYGLCACNA1SALDH1A1TSHRAADAT
SCHEMBL4073069 0.76 PYGL (0.47) PYGLCACNA1SALDH1A1TSHRAADAT
SCHEMBL4242431 0.76 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 2 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

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 104/4885CACNA1S 1878/4885ALDH1A1 397/4885

“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.