SCHEMBL5578682

SCHEMBL5578682

C=CCN1CCC2(CC1)CN(C(=O)c1cccnc1SC)Cc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
SIGMAR1 Q99720 5/20 0.43
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL5578565 0.90 SIGMAR1 (0.42) KMT2ASIGMAR1MEN1KDM4EL3MBTL1
SCHEMBL5578627 0.81 SIGMAR1 (0.49) KMT2ASIGMAR1ALDH1A1LMNARAB9A
SCHEMBL5578508 0.81 SIGMAR1 (0.49) SIGMAR1ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL5578829 0.79 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL5578550 0.77 KMT2A (0.39) KMT2AALDH1A1LMNAMEN1KDM4E
SCHEMBL5578603 0.76 SIGMAR1 (0.46) SIGMAR1KDM4E
SCHEMBL5578643 0.76 SIGMAR1 (0.49) KMT2ASIGMAR1ALDH1A1LMNARAB9A
SCHEMBL5578863 0.75 SIGMAR1 (0.48) SIGMAR1ALDH1A1GAATSHRRAB9A
SCHEMBL5578695 0.74 SIGMAR1 (0.47) SIGMAR1RAB9A
SCHEMBL5578638 0.73 RAB9A (0.50) KMT2ASIGMAR1ALDH1A1LMNAMEN1

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 1940/4885SIGMAR1 444/4885ALDH1A1 634/4885

“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.