SCHEMBL9518166

SCHEMBL9518166

NC(=O)NC1CCCC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.56
GRIA4 P48058 2/20 0.50
MAPK1 P28482 2/20 0.47
KDM1A O60341 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAOB P27338 1/20 0.42
PTGES O14684 1/20 0.42

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
SCHEMBL9518171 1.00 SSTR4 (0.56) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL12269958 0.83 SMN1; SMN2 (0.68) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL294182 0.83 SMN1; SMN2 (0.68) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL11486073 0.83 SSTR4 (0.49) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL11486071 0.83 SSTR4 (0.49) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL15591888 0.83 SSTR4 (0.67) SSTR4GRIA4MAPK1KDM1ASMN1; SMN2
SCHEMBL5531089 0.81 SMN1; SMN2 (0.69) KDM1ASMN1; SMN2NPSR1MAOB
SCHEMBL20696269 0.81 SMN1; SMN2 (0.69) KDM1ASMN1; SMN2NPSR1MAOB
SCHEMBL8294081 0.81 SMN1; SMN2 (0.69) KDM1ASMN1; SMN2NPSR1MAOB
SCHEMBL31018747 0.81 SMN1; SMN2 (0.69) KDM1ASMN1; SMN2NPSR1MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 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-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 SSTR4 3983/4885GRIA4 3271/4885MAPK1 1/4885

“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.