SCHEMBL5436142

SCHEMBL5436142

Oc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
GUSB P08236 1/20 0.51
HTR2A P28223 4/20 0.49
HTR1A P08908 4/20 0.49
HTR7 P34969 3/20 0.49
HTR6 P50406 3/20 0.49
CYP1A2 P05177 2/20 0.49
CLK1 P49759 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
PDPK1 O15530 1/20 0.49
CCNB2 O95067 1/20 0.49
CYP1A1 P04798 1/20 0.49
CDK1 P06493 1/20 0.49
PIM1 P11309 1/20 0.49
CCNB1 P14635 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CSNK1A1 P48729 1/20 0.49

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
SCHEMBL5435851 0.89 HTR2C (0.56) HTR2AHTR1AHTR7HTR6CYP1A2
SCHEMBL5429556 0.89 GPR84 (0.62) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL14215759 0.81 HTR1A (0.55) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL29007169 0.81 GPR84 (0.81) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL30430310 0.81 GPR84 (0.81) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL3662574 0.80 S100A4 (0.55) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL13323650 0.79 GPR84 (0.51) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL5434525 0.79 GPR84 (0.51) GPR84GUSBHTR2AHTR1AHTR7
SCHEMBL5426923 0.79 HTR1A (0.53) GPR84HTR2AHTR1AHTR7HTR6
SCHEMBL5439985 0.79 SLC6A4 (0.54) GPR84HTR2AHTR1AHTR7HTR6

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
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM GPR84 3996/4885GUSB 3704/4885HTR2A 536/4885

“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.