SCHEMBL2197151

SCHEMBL2197151

Nc1ccccc1SC(F)(F)F.Nc1ccccc1SC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL398169 1.00 MAPT (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL29549836 1.00 MAPT (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL7006953 0.82 MAPT (0.50) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL2054201 0.79 AHR (0.38) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL6863388 0.76 KMT2A (0.54) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL3096171 0.76 KMT2A (0.43) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL16657271 0.74 MEN1 (0.52) MAPTMEN1KMT2ANPSR1APOBEC3G
SCHEMBL31171603 0.73 HTR7 (0.39) ALDH1A1TDP1KDM4ELMNAHTT
SCHEMBL525897 0.73 ALDH1A1 (0.42) MAPTALDH1A1TDP1KDM4ELMNA
SCHEMBL3831544 0.73 HTR7 (0.39) ALDH1A1TDP1KDM4ELMNAHTT

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 2 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

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 MAPT 4212/4885MEN1 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.