SCHEMBL5578652

SCHEMBL5578652

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)CN(CCc2ccccc2)Cc2ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47
SIGMAR1 Q99720 7/20 0.47
MEN1 O00255 1/20 0.46
NR3C1 P04150 1/20 0.44
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
HTT P42858 1/20 0.42
AKR1B1 P15121 1/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL5578833 0.85 SIGMAR1 (0.45) KMT2AALDH1A1HSP90AA1SIGMAR1MEN1
SCHEMBL5578875 0.78 KMT2A (0.62) KMT2AALDH1A1SIGMAR1MEN1HTR2A
SCHEMBL5579055 0.71 SIGMAR1 (0.49) SIGMAR1HTR2A
SCHEMBL5578737 0.71 SIGMAR1 (0.53) SIGMAR1HTR2A
SCHEMBL18221709 0.71 SIGMAR1 (0.67) ALDH1A1SIGMAR1CYP2D6HTR2A
SCHEMBL5578667 0.70 SIGMAR1 (0.47) KMT2AALDH1A1SIGMAR1MEN1KCNH2
SCHEMBL5578645 0.69 SIGMAR1 (0.49) KMT2AALDH1A1SIGMAR1MEN1USP2
SCHEMBL28020837 0.69 SIGMAR1 (0.58) SIGMAR1KCNJ1KCNH2HTR2A
SCHEMBL7598211 0.68 ABCB1 (0.74) KMT2AALDH1A1SIGMAR1MEN1KCNJ1
SCHEMBL5726074 0.68 ATM (0.63) KMT2AALDH1A1MEN1HTTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL KMT2A 1940/4885ALDH1A1 634/4885HSP90AA1 3540/4885

“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.