SCHEMBL21670064

SCHEMBL21670064

CCc1ccccc1/C(C)=C/C=C\N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CLCN2 P51788 1/20 0.34
F2R P25116 1/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL18856215 0.84 GABRA1 (0.36) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL17167065 0.80 GABRA1 (0.33) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL27876011 0.77 GABRA1 (0.43) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL6120361 0.71 MEN1 (0.47) CLCN2ALDH1A1MAPTLMNATSHR
SCHEMBL21161187 0.71 GABRA1 (0.38) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL6546872 0.71 MEN1 (0.47) CLCN2ALDH1A1MAPTLMNATSHR
SCHEMBL13818576 0.71 CLCN2 (0.34) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL5934500 0.71 GABRA1 (0.48) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL27367606 0.71 GABRA1 (0.48) GABRA1GABRB2CLCN2F2RALDH1A1
SCHEMBL28221235 0.70 PNMT (0.35) ALDH1A1LMNA

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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 GABRA1 1716/4885GABRB2 2599/4885CLCN2 736/4885

“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.