SCHEMBL2194398

SCHEMBL2194398

Fc1ccccc1-n1c(Br)nc2ccc(OCc3ccccc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
PKM P14618 1/20 0.36
PDE10A Q9Y233 3/20 0.35
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL2223214 0.85 HCAR1 (0.43) HCAR1HTR3EHTR3BHTR1AHTR3A
SCHEMBL2195967 0.75 HCAR1 (0.41) HCAR1HTR3EHTR3BHTR1AHTR3A
SCHEMBL2193301 0.74 HTR3E (0.43) HCAR1HTR3EHTR3BHTR1AHTR3A
SCHEMBL2194788 0.74 HCAR1 (0.48) HCAR1PKMGRM5ALDH1A1CYP1A2
SCHEMBL2194958 0.73 HCAR1 (0.51) HCAR1MEN1KMT2AHSD17B10
SCHEMBL31520860 0.71 ADORA3 (0.43) HTR3EHTR3BHTR1AHTR3AHTR3D
SCHEMBL2193026 0.71 HCAR1 (0.49) HCAR1HTR3EHTR3BHTR1AHTR3A
SCHEMBL16084159 0.68 HTR3E (0.42) HCAR1HTR3EHTR3BHTR1AHTR3A
SCHEMBL22748471 0.67 PKM (0.44) PKMGRM5ALDH1A1HPGDKDM1A
SCHEMBL31068655 0.67 PDE10A (0.48) HTR3EHTR3BHTR1AHTR3AHTR3D

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-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 HCAR1 28/4885HTR3E 680/4885HTR3B 551/4885

“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.