SCHEMBL8532608

SCHEMBL8532608

CCOC(=O)CCNC(=O)c1n[nH]c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL12999415 0.78 MLYCD (0.41) ALDH1A1GLALMNAPOLBSMN1; SMN2
SCHEMBL8580062 0.75 MLYCD (0.41) ALDH1A1GLALMNAPOLBSMN1; SMN2
SCHEMBL12999930 0.73 GPR84 (0.41) ALDH1A1LMNAPOLBSMN1; SMN2MLYCD
SCHEMBL12999481 0.72 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MLYCDCYP1A2CYP3A4
SCHEMBL13000395 0.70 KDM4E (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL12999897 0.69 MAPT (0.54) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL12999390 0.69 MLYCD (0.39) ALDH1A1LMNAPOLBSMN1; SMN2MLYCD
SCHEMBL7088568 0.69 GAA (0.54) ALDH1A1POLBGAACYP1A2CYP3A4
SCHEMBL23303452 0.68 NAAA (0.57) ALDH1A1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6778647 0.68 SMN1; SMN2 (0.43) ALDH1A1GAASMN1; SMN2MLYCDCYP1A2

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
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 — — WO 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 (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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ALDH1A1 852/4885GLA 1317/4885LMNA 635/4885

“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.

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