SCHEMBL2198338

SCHEMBL2198338

CS(=O)(=O)Oc1ccc([N+](=O)[O-])c(Nc2ccccc2OC(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.40
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TXNRD1 Q16881 2/20 0.38
C1R P00736 1/20 0.38
PIN1 Q13526 1/20 0.37
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
AURKA O14965 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2195864 0.80 FGFR4 (0.50) L3MBTL1MEN1KMT2AEPHX2MAPK1
SCHEMBL2194871 0.80 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AEPHX2MAPK1
SCHEMBL2196910 0.78 TXNRD1 (0.38) L3MBTL1MEN1KMT2AMAPK1TXNRD1
SCHEMBL10711270 0.75 L3MBTL1 (0.67) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL4055027 0.73 MAPK1 (0.53) L3MBTL1MEN1KMT2AEPHX2MAPK1
SCHEMBL8160321 0.68 MEN1 (0.63) L3MBTL1MEN1KMT2AMAPTRAB9A
SCHEMBL481445 0.67 KMT2A (0.65) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL10650908 0.67 MEN1 (0.49) L3MBTL1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL2193966 0.67 TXNRD1 (0.48) MEN1KMT2ATXNRD1MAPTTDP1
SCHEMBL6112961 0.65 ALDH1A1 (0.58) L3MBTL1MEN1KMT2AALDH1A1MAPT

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 L3MBTL1 4688/4885MEN1 2445/4885KMT2A 3713/4885

“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.