SCHEMBL10259796

SCHEMBL10259796

CC(C)(C)OC(=O)NCCC(=O)OCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CD274 Q9NZQ7 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 4/20 0.41
POLB P06746 1/20 0.41
CACNA1H O95180 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL39934 0.84 CD274 (0.60) CD274TDP1SMN1; SMN2DRD2POLB
SCHEMBL4753694 0.82 CD274 (0.54) ALDH1A1CD274TDP1SMN1; SMN2SIGMAR1
SCHEMBL39968 0.81 LMNA (0.58) ALDH1A1CD274DRD2
SCHEMBL9093109 0.79 CD274 (0.53) CD274TDP1SMN1; SMN2DRD2POLB
SCHEMBL97212 0.78 LMNA (0.51) ALDH1A1TDP1BRD4SMN1; SMN2DRD2
SCHEMBL2850188 0.77 CD274 (0.51) ALDH1A1CD274TDP1DRD2
SCHEMBL12014420 0.77 ATM (0.48) ALDH1A1TDP1SMN1; SMN2ATM
SCHEMBL23291143 0.76 BRD4 (0.53) ALDH1A1CD274BRD4SMN1; SMN2POLB
SCHEMBL12986900 0.76 CTSK (0.45) ALDH1A1CD274TDP1SMN1; SMN2ATM
SCHEMBL21230528 0.76 CTSK (0.45) ALDH1A1CD274TDP1SMN1; SMN2ATM

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-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 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 (2 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ALDH1A1 852/4885CD274 4112/4885TDP1 1226/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME ALDH1A1 2474/4885CD274 4677/4885TDP1 2964/4885

“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.