SCHEMBL3586818

SCHEMBL3586818

NCCNC(=O)[CH]COCc1ccccc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
SPHK2 Q9NRA0 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP10 Q53GL7 2/20 0.32
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
CHEK1 O14757 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL3583573 0.90 KDM4E (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3893971 0.81 MEN1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3592882 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3579083 0.77 MEN1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3577605 0.75 MEN1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3591420 0.74 MEN1 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3591721 0.73 MEN1 (0.37) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4981766 0.72 KDM4E (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3583373 0.71 GAA (0.38) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL5759430 0.71 MEN1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A

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 6 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 claimed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP claimed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 WO claimed
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 ALDH1A1 3963/4885KDM4E 1818/4885HPGD 4277/4885

“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.