SCHEMBL2992907

SCHEMBL2992907

O=S(=O)(c1ccc(Br)cn1)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 5/20 0.44
RECQL P46063 1/20 0.44
FKBP1A P62942 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL16990245 0.86 ABL1 (0.44) ALDH1A1POLBTSHRHTTLMNA
SCHEMBL4262633 0.85 LMNA (0.50) USP2ALDH1A1MAPTPOLBTSHR
SCHEMBL3636698 0.85 L3MBTL1 (0.42) ALDH1A1TSHRRECQLLMNAKDM4E
SCHEMBL2991150 0.83 APEX1 (0.40) GAAALDH1A1MAPTPOLBTSHR
SCHEMBL12751738 0.82 HTT (0.52) ALDH1A1POLBTSHRHTTLMNA
SCHEMBL5307608 0.80 ALDH1A1 (0.47) GAAALDH1A1KDM4E
SCHEMBL428472 0.79 POLB (0.49) USP2GAAALDH1A1MAPTPOLB
SCHEMBL5303626 0.76 RAB9A (0.47) GAAALDH1A1MAPTTSHRHTT
SCHEMBL21510181 0.74 ALDH1A1 (0.43) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL16990306 0.74 TGM2 (0.52) KDM4E

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 USP2 614/4885GAA 2061/4885ALDH1A1 3844/4885

“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.