SCHEMBL9978633

SCHEMBL9978633

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.59
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ERN1 O75460 1/20 0.49
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NR4A2 P43354 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CREBBP Q92793 1/20 0.42
IDO1 P14902 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL24101491 0.88 KDM4E (0.52) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL12065186 0.87 KDM4E (0.55) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL9978740 0.86 MCL1 (0.60) MCL1KDM4EALDH1A1HPGDNPSR1
SCHEMBL3741758 0.80 KDM4E (0.60) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL8967057 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL30855494 0.79 MCL1 (0.72) MCL1KDM4EALDH1A1ERN1CYP1A2
SCHEMBL18517642 0.79 MCL1 (0.72) MCL1KDM4EALDH1A1ERN1CYP1A2
SCHEMBL8966782 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1L3MBTL1
SCHEMBL2131809 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDNPSR1
SCHEMBL870174 0.78 BRD4 (0.47) MCL1KDM4EALDH1A1HPGDNPSR1

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 MCL1 3002/4885KDM4E 1827/4885ALDH1A1 2660/4885

“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.