SCHEMBL9980580

SCHEMBL9980580

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.38
NR4A2 P43354 2/20 0.37
CREBBP Q92793 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL4468388 0.81 BRD4 (0.41) KDM4EALDH1A1HPGDNPSR1NR4A2
SCHEMBL20636622 0.80 KDM4E (0.37) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL18107886 0.79 CA12 (0.37) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL25245488 0.79 TSHR (0.39) KDM4EALDH1A1HPGDNPSR1LMNA
SCHEMBL17442464 0.79 LMNA (0.39) KDM4EALDH1A1NR4A2CREBBPLMNA
SCHEMBL9986523 0.78 LMNA (0.47) KDM4EALDH1A1LMNAKMT2ATSHR
SCHEMBL23698878 0.76 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL4975695 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDNPSR1CYP1A2
SCHEMBL8966782 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL17201303 0.74 KDM4E (0.34) KDM4EALDH1A1HPGDNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575454-B1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
EP-2575454-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
WO-2011149801-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 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-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, OPRL1 KDM4E 1827/4885ALDH1A1 2660/4885HPGD 1568/4885

“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.