SCHEMBL5579047

SCHEMBL5579047

COc1ccc(CN2CCC3(CC2)CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL5578809 0.89 KMT2A (0.55) KMT2AHDAC1HDAC6ALDH1A1KDM4E
SCHEMBL5578555 0.86 HDAC1 (0.47) HDAC1HDAC6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5578886 0.81 SLC18A3 (0.45) KMT2AHDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL5578687 0.81 KMT2A (0.48) KMT2AHDAC1HDAC6ALDH1A1KDM4E
SCHEMBL5578457 0.81 HSD11B1 (0.43) HDAC1HDAC6ALDH1A1HTT
SCHEMBL5578510 0.80 HDAC1 (0.39) HDAC1HDAC6ALDH1A1HTT
SCHEMBL5578456 0.79 HTR2A (0.49) HDAC1HDAC6ALDH1A1KCNH2
SCHEMBL5578446 0.79 CACNA1G (0.49) KMT2AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL5578719 0.79 MMP1 (0.49) HDAC1HDAC6SMN1; SMN2
SCHEMBL5814786 0.75 POLB (0.42) HDAC1HDAC6ALDH1A1HTTPOLB

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 7 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
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO 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 1940/4885HDAC1 885/4885HDAC6 767/4885

“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.