SCHEMBL5443201

SCHEMBL5443201

Brc1ccc2c(-c3c[nH]c4ccccc34)c[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.65
ADRA1B P35368 3/20 0.65
IMPDH2 P12268 2/20 0.58
S100A4 P26447 1/20 0.55
CAMK2D Q13557 2/20 0.51
CCNE2 O96020 2/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
CCNB2 O95067 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
CLK1 P49759 2/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50

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
SCHEMBL3662574 0.89 S100A4 (0.55) ADRA1AADRA1BIMPDH2S100A4CAMK2D
SCHEMBL9085566 0.85 CDK4 (0.74) ADRA1AADRA1BS100A4CAMK2DCCNE2
SCHEMBL22152200 0.84 IMPDH2 (0.71) ADRA1AADRA1BIMPDH2CAMK2DCCNE2
Nortopsentin C SCHEMBL8615865 0.82 ADRA1A (0.62) ADRA1AADRA1BIMPDH2S100A4CCNB2
Nortopsentin B SCHEMBL29489896 0.82 ADRA1A (0.62) ADRA1AADRA1BIMPDH2S100A4CCNB2
Nortopsentin C SCHEMBL29489919 0.82 ADRA1A (0.62) ADRA1AADRA1BIMPDH2S100A4CCNB2
Nortopsentin B SCHEMBL8615899 0.82 ADRA1A (0.62) ADRA1AADRA1BIMPDH2S100A4CCNB2
SCHEMBL1202543 0.82 IMPDH2 (0.63) IMPDH2CAMK2DCCNE2CDK4CCND1
SCHEMBL25034159 0.80 MEN1 (0.73) ADRA1AADRA1BIMPDH2CCNB2CDK1
SCHEMBL17422753 0.79 IMPDH2 (0.75) ADRA1AADRA1BIMPDH2CCNB2CDK1

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-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM ADRA1A 3242/4885ADRA1B 3238/4885IMPDH2 1050/4885

“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.