SCHEMBL18580959

SCHEMBL18580959

CC/C(=N\O)c1c(O)cc(C(C)C)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
GAA P10253 3/20 0.40
PTGS1 P23219 2/20 0.38
TRPA1 O75762 1/20 0.38
CACNA1C Q13936 1/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.34
DRD3 P35462 1/20 0.34
TYR P14679 2/20 0.34
CNR1 P21554 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX12 P18054 2/20 0.33
HIF1A Q16665 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL18580960 1.00 GABRA1 (0.42) GABRA1GABRB2GAAPTGS1TRPA1
SCHEMBL28807563 0.76 GAA (0.39) GAAPTGS1TRPA1MGLLMEN1
SCHEMBL17026906 0.74 PTGS1 (0.64) GABRA1GABRB2PTGS1TRPA1CACNA1C
SCHEMBL9904677 0.74 CA12 (0.44) GAAMGLLMEN1KMT2AHTT
SCHEMBL15306048 0.74 CA12 (0.44) GAAMGLLMEN1KMT2AHTT
SCHEMBL9904675 0.74 CA12 (0.44) GAAMGLLMEN1KMT2AHTT
SCHEMBL9744222 0.69 GABRA1 (0.50) GABRA1GABRB2GAAPTGS1TRPA1
SCHEMBL26027329 0.67 FABP3 (0.63) GABRA1GABRB2PTGS1TRPA1CACNA1C
SCHEMBL6346880 0.67 GABRA1 (0.73) GABRA1GABRB2GAAPTGS1TRPA1
SCHEMBL9745009 0.65 GABRA1 (0.47) GABRA1GABRB2GAAPTGS1TRPA1

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 GABRA1 86/4885GABRB2 172/4885GAA 4276/4885

“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.