SCHEMBL5440296

SCHEMBL5440296

CN(C(=O)O)c1ccc(NCCN2CCCCC2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ACP1 P24666 3/20 0.39
SMARCA2 P51531 1/20 0.38
BACE1 P56817 4/20 0.38
POLB P06746 2/20 0.38
DRD3 P35462 1/20 0.38
HTR4 Q13639 1/20 0.38
PTGER4 P35408 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL5443785 0.82 MAPT (0.48) KMT2APOLB
SCHEMBL5443793 0.82 MAPT (0.48) KMT2APOLB
SCHEMBL5432738 0.78 CHRM3 (0.40) PTGER4
SCHEMBL5438392 0.78 CHRM3 (0.40) PTGER4
SCHEMBL4968452 0.77 TERT (0.47) MEN1KMT2AACP1SMARCA2POLB
SCHEMBL4230564 0.76 PTGER4 (0.48) PTGER4
SCHEMBL5881693 0.76 ACP1 (0.51) MEN1KMT2AACP1POLBPTGER4
SCHEMBL14116635 0.74 TERT (0.44) BACE1HTR4
SCHEMBL15774342 0.72 PTGER4 (0.65) MEN1KMT2APTGER4
SCHEMBL4069514 0.72 SIGMAR1 (0.44) MEN1KMT2AACP1SMARCA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 MEN1 3142/4885KMT2A 1921/4885ACP1 4376/4885

“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.