SCHEMBL5578893

SCHEMBL5578893

O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
POLB P06746 1/20 0.45
TACR1 P25103 1/20 0.44
HDAC8 Q9BY41 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD11B1 P28845 1/20 0.42
CASP3 P42574 3/20 0.42
CASP7 P55210 3/20 0.42
CASP6 P55212 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5578796 0.82 SMN1; SMN2 (0.43) HDAC1HDAC6POLBSMN1; SMN2USP2
SCHEMBL5578491 0.78 GLRA3 (0.41) HDAC1HDAC6POLBSMN1; SMN2CYP2D6
SCHEMBL5578683 0.75 HDAC1 (0.52) HDAC1HDAC6TACR1HDAC8MEN1
SCHEMBL11290928 0.74 HDAC1 (0.46) HDAC1HDAC6HDAC8CYP2D6
SCHEMBL5578492 0.68 HSD11B1 (0.39) POLBTACR1SMN1; SMN2USP2CYP2D6
SCHEMBL5578474 0.68 SMN1; SMN2 (0.51) POLBSMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL2801717 0.67 HDAC1 (0.65) HDAC1HDAC6TACR1HDAC8
SCHEMBL28975113 0.67 HDAC1 (0.51) HDAC1HDAC6TACR1HDAC8
SCHEMBL13824610 0.66 CYP2D6 (0.45) HDAC1HDAC6SMN1; SMN2USP2CYP2D6
SCHEMBL25239319 0.66 HDAC1 (0.67) HDAC1HDAC6HDAC8CYP2D6MEN1

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
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 767/4885POLB 3703/4885

“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.