SCHEMBL3583575

SCHEMBL3583575

NCNC(=O)C(OCc1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.39
ROCK1 Q13464 1/20 0.39
MYLK4 Q86YV6 1/20 0.39
LTA4H P09960 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3581960 0.87 SPHK2 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL6567345 0.84 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL3583578 0.80 ROCK1 (0.53) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL27978224 0.78 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL1231110 0.73 SLC1A1 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL18925989 0.72 SLC1A1 (0.59) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9760378 0.71 SLC1A1 (0.58) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL18381513 0.70 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL1232306 0.70 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL6589610 0.70 LMNA (0.65) SLC1A3SLC1A1KMT2ANPC1RAB9A

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 SLC1A3 230/4885SLC1A2 692/4885SLC1A1 465/4885

“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.