SCHEMBL2982170

SCHEMBL2982170

O=S(=O)(NC1CCSCC1)c1ccc(Cl)nc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
CCR2 P41597 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17807630 0.90 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL8512198 0.87 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL2565054 0.87 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL2985529 0.82 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL2985526 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL27162489 0.80 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL15574851 0.78 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL3660279 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A
SCHEMBL2991766 0.77 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL2991769 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ERECQLKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 ALDH1A1 3844/4885SMN1; SMN2 4075/4885KDM4E 1730/4885

“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.