SCHEMBL4526586

SCHEMBL4526586

[CH2]N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
PKM P14618 2/20 0.67
ALDH1A1 P00352 4/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.59
APOBEC3A P31941 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
GAA P10253 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
MCOLN3 Q8TDD5 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL735657 0.91 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL3830424 0.91 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL7122592 0.91 POLB (0.80) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL7469413 0.83 PKM (0.72) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL14470279 0.83 ALDH1A1 (0.75) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL6805741 0.83 ALDH1A1 (0.81) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL1988224 0.83 ALDH1A1 (0.81) POLBPKMALDH1A1LMNASMN1; SMN2
SCHEMBL6744239 0.82 ALDH1A1 (0.71) POLBPKMALDH1A1LMNAGAA
SCHEMBL24600469 0.82 POLB (0.62) POLBPKMALDH1A1LMNAAPOBEC3A
SCHEMBL20198535 0.82 POLB (0.67) POLBPKMALDH1A1LMNASMN1; SMN2

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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP claimed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO claimed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 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-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 POLB 4871/4885PKM 4311/4885ALDH1A1 622/4885

“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.