SCHEMBL13169288

SCHEMBL13169288

CN(C)C(=Nc1cccc2cccc(NC(N(C)C)N(C)C)c12)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL676864 0.80 KDM4E (0.41) SIGMAR1MAPTKDM4EGAA
SCHEMBL5747124 0.78 CYP3A4 (0.40) SIGMAR1MAPTKDM4EGAA
Hydrochloric Acid SCHEMBL5746772 0.78 MAPT (0.40) SIGMAR1MAPTKDM4EGAA
SCHEMBL5745827 0.77 KDM4E (0.39) SIGMAR1MAPTKDM4EGAA
SCHEMBL13967926 0.74 KDM4E (0.34) SIGMAR1MAPTKDM4EGAA
SCHEMBL16376115 0.72 HTR2A (0.34) SIGMAR1MAPTKDM4EGAA
SCHEMBL13967975 0.71 SIGMAR1 (0.45) SIGMAR1
SCHEMBL13967982 0.70 KDM4E (0.33) SIGMAR1MAPTKDM4EGAA
SCHEMBL3245718 0.70 SIGMAR1 (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13967928 0.69 KDM4E (0.32) SIGMAR1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790781-B2 Condensation-crosslinkable dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG (DE) 2010-09-07 US disclosed
US-7790781-B2 Condensation-crosslinkable dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG (DE) 2010-09-07 US disclosed
US-20070004821-A1 Condensation-crosslinked dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG 2007-01-04 US disclosed
US-20070004821-A1 Condensation-crosslinked dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG 2007-01-04 US 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-20070004821-A1 Condensation-crosslinked dental material hardening to dimensionally stable casts SMCHD1, SMC1A, SMC2 SIGMAR1 3417/4885GRIN2D 271/4885GRIN3B 979/4885

“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.