SCHEMBL3583480

SCHEMBL3583480

NCCC[CH]CSCc1ccccc1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
METAP2 P50579 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
BCAT2 O15382 1/20 0.32
LMNA P02545 2/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL3587288 0.77 SIRT1 (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3577605 0.75 MEN1 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5023431 0.75 SLC6A5 (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3592882 0.75 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6807035 0.74 SIRT1 (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3262902 0.72 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3591420 0.71 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL405123 0.71 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3585495 0.70 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8366893 0.69 MAPT (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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 4 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

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 KDM4E 1818/4885ALDH1A1 3963/4885MAPT 4624/4885

“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.