SCHEMBL6045453

SCHEMBL6045453

CC(=O)N(c1ccccc1)C1(c2nc(C)cs2)CCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ACHE P22303 2/20 0.36
TP53 P04637 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
BRD4 O60885 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CLPP Q16740 1/20 0.34

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
SCHEMBL6045518 0.86 CHRM2 (0.47) CHRM2CHRM3ALDH1A1
SCHEMBL6045727 0.86 TSHR (0.46) ALDH1A1
SCHEMBL6045585 0.86 OPRL1 (0.41) ACHEALDH1A1
SCHEMBL6045421 0.85 CYP2D6 (0.44) ACHECHRM2CHRM3ALDH1A1
SCHEMBL6045483 0.84 KDM4E (0.47) ACHETP53ALDH1A1
Oxalic Acid SCHEMBL6045529 0.83 CYP2D6 (0.42) ACHECHRM2CHRM3ALDH1A1
Oxalic Acid SCHEMBL6045600 0.83 KDM4E (0.50) LMNATP53ALDH1A1
SCHEMBL6045478 0.83 CHRM2 (0.34) CHRM2CHRM3ALDH1A1
SCHEMBL6045541 0.82 OPRM1 (0.42) ALDH1A1
SCHEMBL6045636 0.82 DRD4 (0.44) LMNACHRM2CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252797-A1 Receptor regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-09 US disclosed
EP-1559428-A1 RECEPTOR REGULATOR Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20060252797-A1 Receptor regulator NMUR1, NMUR2, NMBR LMNA 1044/4885ACHE 3383/4885TP53 4876/4885

“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.