SCHEMBL1661089

SCHEMBL1661089

O=C(Cl)c1ncc(Br)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.33
PLAU P00749 2/20 0.33
ELANE P08246 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.33
ALOX15 P16050 2/20 0.33
BACE1 P56817 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL1661495 0.82 KDM4E (0.42) DGAT1ALDH1A1KDM4EPOLBHCAR2
SCHEMBL29465147 0.81 DGAT1 (0.35) DGAT1ALDH1A1GAAKDM4EPOLB
SCHEMBL1629161 0.81 DGAT1 (0.47) DGAT1ALDH1A1KDM4EPLAUPOLB
Hydrochloric Acid SCHEMBL13729434 0.81 KDM4E (0.41) DGAT1ALDH1A1KDM4EPOLBHCAR2
SCHEMBL10081962 0.81 DGAT1 (0.35) DGAT1ALDH1A1GAAKDM4EPOLB
SCHEMBL257014 0.80 DPP4 (0.39) ALDH1A1KDM4EHCAR2ALOX15BACE1
SCHEMBL31514824 0.80 DPP4 (0.39) ALDH1A1KDM4EHCAR2ALOX15BACE1
SCHEMBL17224852 0.78 PLAU (0.44) ALDH1A1ATML3MBTL1KDM4EPLAU
SCHEMBL7687780 0.78 KCNQ3 (0.36) ALDH1A1L3MBTL1HCAR2NPC1RAB9A
SCHEMBL17224823 0.78 GSK3B (0.37) DGAT1ALDH1A1KDM4EPOLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
EP-2490692-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
WO-2011049731-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 DGAT1 3169/4885ALDH1A1 2640/4885ATM 2289/4885

“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.