SCHEMBL3592882

SCHEMBL3592882

NCCNC(=O)[CH]CSCc1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
HPGD P15428 6/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL3586818 0.77 ALDH1A1 (0.35) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL3583480 0.75 KDM4E (0.34) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL3583373 0.71 GAA (0.38) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL6807035 0.71 SIRT1 (0.37) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL14861102 0.68 ALDH1A1 (0.51) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL13516667 0.68 GAA (0.40) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL8652703 0.68 TSHR (0.53) ALDH1A1HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL5579524 0.66 ALDH1A1 (0.45) ALDH1A1HPGDLMNAKMT2AMAPT
SCHEMBL3583573 0.66 KDM4E (0.37) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL18343734 0.65 ALDH1A1 (0.46) ALDH1A1HPGDLMNASMN1; SMN2KMT2A

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
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US 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 ALDH1A1 3963/4885HPGD 4277/4885LMNA 4415/4885

“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.