SCHEMBL5578555

SCHEMBL5578555

O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
SIGMAR1 Q99720 2/20 0.41
GPR183 P32249 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
KCNJ1 P48048 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL5579047 0.86 KMT2A (0.44) HDAC1HDAC6KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5578719 0.86 MMP1 (0.49) HDAC1HDAC6SMN1; SMN2MCHR1
SCHEMBL5578457 0.83 HSD11B1 (0.43) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL5578753 0.82 HDAC1 (0.47) HDAC1HDAC6SIGMAR1GPR183
SCHEMBL5578886 0.82 SLC18A3 (0.45) HDAC1HDAC6SIGMAR1SMN1; SMN2KCNJ1
SCHEMBL5578510 0.82 HDAC1 (0.39) HDAC1HDAC6SIGMAR1ALDH1A1
SCHEMBL5578456 0.81 HTR2A (0.49) HDAC1HDAC6SIGMAR1KCNJ1ALDH1A1
SCHEMBL5782895 0.80 HDAC1 (0.47) HDAC1HDAC6SIGMAR1SMN1; SMN2MCHR1
SCHEMBL5814786 0.77 POLB (0.42) HDAC1HDAC6ALDH1A1POLB
SCHEMBL5578967 0.77 OPRL1 (0.43) HDAC1HDAC6SIGMAR1GPR183

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 8 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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO 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 HDAC1 885/4885HDAC6 767/4885SIGMAR1 444/4885

“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.