SCHEMBL2196709

SCHEMBL2196709

Nc1ccc(OCc2ccccc2)nc1Nc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NUDT1 P36639 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KDR P35968 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
HTR2A P28223 3/20 0.38
PTK2 Q05397 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2194417 0.82 EGFR (0.45) NPC1RAB9ASMN1; SMN2NUDT1MAPT
SCHEMBL2195942 0.80 MAPT (0.45) NPC1CASP3RAB9ASMN1; SMN2TAAR1
SCHEMBL7822997 0.78 NUDT1 (0.56) RAB9ASMN1; SMN2NUDT1MAPTLMNA
SCHEMBL2197014 0.77 EGFR (0.43) NPC1RAB9ASMN1; SMN2NUDT1MAPT
SCHEMBL2193858 0.77 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2NUDT1MAPT
SCHEMBL2195003 0.76 EGFR (0.43) NPC1RAB9ANUDT1MAPTMEN1
SCHEMBL2191517 0.73 LTA4H (0.49) RAB9ASMN1; SMN2NUDT1MAPTMAOA
SCHEMBL29424833 0.73 LTA4H (0.49) RAB9ASMN1; SMN2NUDT1MAPTMAOA
SCHEMBL2192476 0.72 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2192506 0.72 EGFR (0.43) NPC1RAB9ANUDT1MAOAMAOB

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 NPC1 1159/4885CASP3 4466/4885RAB9A 2533/4885

“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.