SCHEMBL3581957

SCHEMBL3581957

NC(=O)N(C(N)=O)C(=O)[CH]COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALOX5 P09917 2/20 0.41
PARP10 Q53GL7 1/20 0.40
SLC1A1 P43005 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
MEN1 O00255 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
SCHEMBL5139257 0.86 PARP10 (0.42) TSHRALOX5PARP10SLC1A1ALDH1A1
SCHEMBL5499571 0.78 TSHR (0.54) TSHRALOX5SLC1A1ALDH1A1NPC1
SCHEMBL3578581 0.76 L3MBTL1 (0.36) TSHRALOX5SLC1A1ALDH1A1KDM4E
SCHEMBL4088849 0.73 TSHR (0.48) TSHRPARP10SLC1A1ALDH1A1NPC1
Carbamic Acid SCHEMBL119806 0.73 TSHR (0.71) TSHRALOX5PARP10SLC1A1ALDH1A1
Urea SCHEMBL28054623 0.73 TSHR (0.71) TSHRALOX5PARP10SLC1A1ALDH1A1
SCHEMBL3585920 0.72 SMN1; SMN2 (0.40) ALOX5ALDH1A1NPC1RAB9ALMNA
SCHEMBL11410523 0.71 TSHR (0.50) TSHRALOX5PARP10SLC1A1ALDH1A1
SCHEMBL5027370 0.71 TEAD3 (0.50) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL203767 0.69 TSHR (0.56) TSHRPARP10SLC1A1ALDH1A1NPC1

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 3 patents. 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
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO 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 TSHR 41/4885ALOX5 4584/4885PARP10 3427/4885

“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.