SCHEMBL3578581

SCHEMBL3578581

CC(C)(OC(=O)N(C(=N)N)C(=O)[CH]COCc1ccccc1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 2/20 0.33
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSS P25774 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
SLC1A1 P43005 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3581957 0.76 TSHR (0.42) L3MBTL1ALOX5KDM4EPOLBALDH1A1
SCHEMBL5139257 0.70 PARP10 (0.42) L3MBTL1ALOX5KDM4EPOLBALDH1A1
SCHEMBL3586429 0.68 SMN1; SMN2 (0.41) L3MBTL1PPARAALDH1A1CTSSSMN1; SMN2
SCHEMBL3594233 0.67 HTT (0.41) L3MBTL1NPSR1PPARAPOLBCTSS
SCHEMBL2321110 0.66 ALDH1A1 (0.50) L3MBTL1ALDH1A1
SCHEMBL10666425 0.66 ALDH1A1 (0.50) L3MBTL1ALDH1A1
SCHEMBL3585655 0.66 SMN1; SMN2 (0.38) PPARAKDM4EPOLBALDH1A1CTSS
SCHEMBL3580905 0.66 TGM2 (0.41) L3MBTL1NPSR1PPARAPOLBCTSS
SCHEMBL5499571 0.66 TSHR (0.54) L3MBTL1ALOX5ALDH1A1SMN1; SMN2MAPT
SCHEMBL3582786 0.65 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 L3MBTL1 3305/4885NPSR1 13/4885ALOX5 4584/4885

“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.