SCHEMBL3583578

SCHEMBL3583578

NCNC(=O)C(CN)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.53
MYLK4 Q86YV6 1/20 0.53
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC2 Q92769 1/20 0.43
PSMB5 P28074 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 2/20 0.39
SRR Q9GZT4 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5491275 0.82 SLC1A3 (0.57) ROCK1MYLK4SLC1A3SLC1A2SLC1A1
SCHEMBL3583575 0.80 SLC1A3 (0.45) ROCK1MYLK4SLC1A3SLC1A2SLC1A1
SCHEMBL7317841 0.75 L3MBTL1 (0.49) ROCK1MYLK4SLC1A3SLC1A2SLC1A1
SCHEMBL7900106 0.72 SLC1A3 (0.50) ROCK1MYLK4SLC1A3SLC1A2SLC1A1
SCHEMBL17225280 0.72 SLC1A3 (0.46) ROCK1MYLK4SLC1A3SLC1A2SLC1A1
SCHEMBL6589610 0.71 LMNA (0.65) SLC1A3SLC1A1KMT2ANPC1RAB9A
SCHEMBL7900470 0.71 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1CYP1A2CYP2D6
SCHEMBL690027 0.70 NPC1 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19HDAC2
SCHEMBL8195275 0.70 ALPI (0.61) LTA4H
Hydrochloric Acid SCHEMBL28524420 0.70 LMNA (0.63) SLC1A3SLC1A1NPC1RAB9ASMN1; SMN2

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 ROCK1 2032/4885MYLK4 1456/4885SLC1A3 230/4885

“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.