SCHEMBL2486523

SCHEMBL2486523

O=C(O)c1cn(Cc2ccc(Br)cc2F)c2c(F)ccc(F)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.58
RORC P51449 1/20 0.46
AKR1B1 P15121 9/20 0.40
AKR1A1 P14550 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 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
SCHEMBL14307347 0.86 CHRM1 (0.58) CHRM1ALDH1A1HTT
SCHEMBL2492043 0.85 LMNA (0.51) CHRM1AKR1B1MEN1CYP1A2KMT2A
SCHEMBL2486081 0.84 CHRM1 (0.76) CHRM1ALDH1A1HTT
SCHEMBL3235201 0.84 CHRM1 (0.65) CHRM1RORCAKR1B1MEN1CYP1A2
SCHEMBL2486292 0.81 CHRM1 (0.58) CHRM1ALDH1A1HTT
SCHEMBL2487845 0.80 CHRM1 (0.57) CHRM1ALDH1A1HTT
SCHEMBL2486353 0.80 CHRM1 (0.57) CHRM1ALDH1A1HTT
SCHEMBL2487906 0.78 CHRM1 (0.60) CHRM1ALDH1A1
SCHEMBL2487841 0.78 CHRM1 (0.55) CHRM1ALDH1A1HTT
SCHEMBL2488977 0.78 CHRM1 (0.55) CHRM1MEN1CYP1A2KMT2AHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US claimed
US-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2010-12-16 US claimed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8389545-B2 Quinolone M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-03-05 US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
WO-2007067489-A1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2007-06-14 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 (2 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-20100317692-A1 Quinolone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, MTNR1A CHRM1 1/4885RORC 257/4885AKR1B1 1677/4885
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators CHRM1, OPRL1, MTNR1A CHRM1 1/4885RORC 216/4885AKR1B1 1564/4885

“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.