SCHEMBL13054892

SCHEMBL13054892

NCCC(=O)N1CCC(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 6/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7548883 0.90 KMT2A (0.44) TDP1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL7547422 0.83 KMT2A (0.45) TDP1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL7542200 0.80 POLB (0.49) TDP1POLBKMT2AALDH1A1LMNA
SCHEMBL7541789 0.78 KMT2A (0.49) POLBKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7539351 0.76 KMT2A (0.43) TDP1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL17715653 0.76 POLB (0.48) TDP1POLBKMT2ASIGMAR1ALDH1A1
SCHEMBL7520663 0.75 KMT2A (0.48) TDP1POLBKMT2AALDH1A1LMNA
SCHEMBL12174330 0.74 POLB (0.41) TDP1POLBKMT2ASIGMAR1
SCHEMBL7571623 0.74 POLB (0.41) TDP1POLBKMT2ASIGMAR1
SCHEMBL7539075 0.74 KMT2A (0.43) KMT2AALDH1A1LMNASMN1; SMN2L3MBTL1

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 TDP1 534/4885POLB 2893/4885KMT2A 4458/4885

“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.