SCHEMBL6889946

SCHEMBL6889946

CSc1ncc(Cc2cc(C(=O)O)nc3ccccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 6/20 0.46
IGFBP3 P17936 1/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2223248 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6890113 0.80 CHRM1 (0.49) LMNA
SCHEMBL12803234 0.79 CHRM1 (0.53)
SCHEMBL12803363 0.78 ALOX15 (0.53) IGFBP5IGFBP3ALOX15ALDH1A1HPGD
SCHEMBL2224783 0.76 CHRM1 (0.54)
SCHEMBL30744791 0.75 ALOX15 (0.61) IGFBP5IGFBP3ALOX15ALDH1A1HPGD
SCHEMBL27987871 0.74 MYC (0.35) ALDH1A1HPGDTHRBKDM4ELMNA
SCHEMBL12958877 0.73 ALOX15 (0.53) IGFBP5IGFBP3ALOX15ALDH1A1KDM4E
SCHEMBL27928660 0.73 ALOX15 (0.58) IGFBP5IGFBP3ALOX15ALDH1A1HPGD
SCHEMBL6604473 0.72 ALOX15 (0.54) IGFBP5IGFBP3ALOX15ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512243-B1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-06 EP disclosed
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-03-17 US disclosed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
US-9199939-B2 Quinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-12-01 US disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
WO-2011084368-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120252808-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 IGFBP5 3995/4885IGFBP3 4291/4885ALOX15 1996/4885
US-20160075656-A1 QUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 IGFBP5 4146/4885IGFBP3 4299/4885ALOX15 2018/4885

“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.