SCHEMBL245050

SCHEMBL245050

O=C(COc1cccc2ccccc12)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.72
RAB9A P51151 12/20 0.72
KMT2A Q03164 5/20 0.72
MEN1 O00255 3/20 0.72
TP53 P04637 2/20 0.72
MAPT P10636 2/20 0.72
TSHR P16473 2/20 0.72
KDM4E B2RXH2 1/20 0.72
TDP1 Q9NUW8 1/20 0.62
POLB P06746 1/20 0.62
ALDH1A1 P00352 2/20 0.62
DAPK1 P53355 1/20 0.61
PIM3 Q86V86 1/20 0.61
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL12003962 0.79 MEN1 (0.80) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL13675933 0.78 RAB9A (0.67) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL10176509 0.78 MEN1 (0.74) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL10176505 0.77 MEN1 (0.73) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL10176511 0.77 MEN1 (0.73) KMT2AMEN1TP53MAPTKDM4E
SCHEMBL409058 0.77 MEN1 (0.73) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL23023253 0.75 NPC1 (0.68) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL29733696 0.75 NPC1 (0.68) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL30776644 0.75 MEN1 (1.00) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL9041433 0.75 KMT2A (0.77) RAB9AKMT2AMEN1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 EP claimed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 EP claimed
JP-2012500393-A 2012-01-05 JP claimed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 US claimed
EP-2331967-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-06-15 EP claimed
WO-2010020647-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 WO claimed
EP-2716285-B9 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT DE LA RECH SCIENT -CNRS- (FR) 2017-03-01 EP disclosed
EP-2716285-B1 Compounds for treating and/or preventing diseases associated with bone loss CENTRE NAT RECH SCIENT (FR) 2016-04-27 EP disclosed
EP-2331967-B1 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS CENTRE NAT RECH SCIENT (FR) 2015-11-04 EP disclosed
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 US disclosed
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 US disclosed
US-9091678-B2 Method for identifying compounds useful for treating and/or preventing disease-associated bone loss CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-07-28 US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 US disclosed
US-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2011-09-01 US disclosed
EP-2331967-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASES ASSOCIATED WITH BONE LOSS Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-06-15 EP disclosed
WO-2010020647-A2 NEW METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-02-25 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-20110212974-A1 METHOD FOR IDENTIFYING COMPOUNDS USEFUL FOR TREATING AND/OR PREVENTING DISEASE-ASSOCIATED BONE LOSS DOCK5, ARHGDIB, ARHGDIA NPC1 2378/4885RAB9A 41/4885KMT2A 4305/4885

“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.