SCHEMBL244414

SCHEMBL244414

COC(=O)c1cc(Br)c2ccccc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR4A2 P43354 6/20 0.45
CREBBP Q92793 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.43
BRD4 O60885 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL13345820 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL9091761 0.83 MEN1 (0.50) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL1710126 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL16937088 0.82 SOS1 (0.48) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL2131809 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1
SCHEMBL18570557 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL2470133 0.81 LMNA (0.55) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL15926161 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDNPSR1NR4A2
Bromide SCHEMBL1287830 0.81 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL20123231 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDNPSR1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018005249-A1 BENZOISOQUINOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 WO disclosed
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
WO-2017160670-A1 M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2017-09-21 WO disclosed
EP-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-2709451-B1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206200-B2 N-linked lactam M1 receptor positive allosteric mogulators MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
US-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2015-03-05 US disclosed
EP-2588104-B1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-12-10 EP disclosed
US-8697690-B2 Isoindolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-04-15 US disclosed
EP-2709451-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2014-03-26 EP disclosed
EP-2588104-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-05-08 EP disclosed
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
WO-2012158475-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 WO disclosed
WO-2012003147-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-01-05 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-20150065498-A1 N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KDM4E 2063/4885ALDH1A1 2997/4885HPGD 2412/4885
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRD1, OPRL1 KDM4E 2238/4885ALDH1A1 2257/4885HPGD 980/4885

“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.