SCHEMBL2821586

SCHEMBL2821586

Nc1ccc(Br)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
POLB P06746 1/20 0.73
MAPK1 P28482 3/20 0.62
NPC1 O15118 2/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
PLAU P00749 1/20 0.49
KEAP1 Q14145 1/20 0.47
TSHR P16473 2/20 0.45
AKR1C3 P42330 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL10396352 0.90 MAPT (0.67) MAPTPOLBMAPK1NPC1HTT
SCHEMBL28594338 0.90 MAPT (0.83) MAPTPOLBMAPK1NPC1HTT
SCHEMBL10948187 0.86 KEAP1 (0.63) MAPTPOLBMAPK1NPC1HTT
SCHEMBL26738 0.84 MAPT (1.00) MAPTPOLBMAPK1NPC1HTT
SCHEMBL29979531 0.84 MAPT (1.00) MAPTPOLBMAPK1NPC1HTT
SCHEMBL4259849 0.83 MAPT (1.00) MAPTPOLBMAPK1NPC1HTT
SCHEMBL3543844 0.83 MAPT (0.73) MAPTPOLBMAPK1NPC1HTT
SCHEMBL28099842 0.83 MAPT (0.52) MAPTPOLBMAPK1NPC1HTT
SCHEMBL3542735 0.83 MAPT (0.67) MAPTPOLBMAPK1NPC1HTT
SCHEMBL17193968 0.81 CYP1A2 (0.67) MAPTPOLBHTTKDM4EPLAU

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7728142-B2 3-methanesulfonylquinolines as GABAB enhancers HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
CN-101189208-A 3-methanesulfonylquinolines as GABA-B enhancers HOFFMANN LA ROCHE (CH) 2008-05-28 CN disclosed
EP-1893560-A2 3-METHANESULFONYLQUINOLINES AS GABA-B ENHANCERS F. Hoffmann-Roche AG (CH) 2008-03-05 EP disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO disclosed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 MAPT 1003/4885POLB 3659/4885MAPK1 1/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885POLB 3399/4885MAPK1 16/4885
US-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 MAPT 3267/4885POLB 3717/4885MAPK1 3486/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 978/4885POLB 3644/4885MAPK1 22/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAPT 1000/4885POLB 3399/4885MAPK1 16/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAPT 1102/4885POLB 3168/4885MAPK1 52/4885

“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.