SCHEMBL1287803

SCHEMBL1287803

Nc1c(C(=O)O)cc(Br)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.49
KDM4E B2RXH2 4/20 0.44
IDO1 P14902 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MCL1 Q07820 2/20 0.42
CYP2C9 P11712 2/20 0.42
THRB P10828 2/20 0.42
PKM P14618 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL31178974 1.00 PRNP (0.49) PRNPKDM4EIDO1GLAMEN1
Bromide SCHEMBL17969006 0.98 PRNP (0.47) PRNPKDM4EIDO1GLAMEN1
SCHEMBL31520300 0.81 KDM4E (0.53) KDM4EIDO1GLAMEN1KMT2A
SCHEMBL989040 0.81 KDM4E (0.53) KDM4EIDO1GLAMEN1KMT2A
SCHEMBL1710126 0.80 ALDH1A1 (0.50) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL9996096 0.79 PRNP (0.54) PRNPKDM4EGLAMEN1KMT2A
SCHEMBL485235 0.79 HSD17B10 (0.67) PRNPKDM4EMEN1KMT2AMAPT
SCHEMBL2185663 0.79 PRNP (0.46) PRNPKDM4EIDO1GLAMEN1
SCHEMBL6881782 0.78 KDM4E (0.49) KDM4EGLAMEN1KMT2AMAPT
Bromide SCHEMBL1287830 0.78 ALDH1A1 (0.49) KDM4EGLAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308633-B2 Process for making M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 US disclosed
EP-2624697-B1 DIHYDROBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-11-25 EP disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 EP disclosed
CN-102292323-A Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators 2011-12-21 CN disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
EP-2358686-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
WO-2011025851-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
WO-2010059773-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-05-27 WO disclosed
WO-2010059773-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-05-27 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 (3 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-10308633-B2 Process for making M1 receptor positive allosteric modulators CHRM1, CHRM4, CHRM2 PRNP 695/4885KDM4E 748/4885IDO1 2327/4885
US-20110224198-A1 ARYL METHYL BENZOQUINAZOLININE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 PRNP 551/4885KDM4E 604/4885IDO1 2474/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 PRNP 467/4885KDM4E 773/4885IDO1 2498/4885

“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.