SCHEMBL246523

SCHEMBL246523

CCCCOc1ccc(-c2nc(C3CCCCC3)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
AOC3 Q16853 2/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 1/20 0.49
USP7 Q93009 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL11197344 0.78 CYP2D6 (0.50) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL21914787 0.76 NPC1 (0.59) NPC1RAB9ASMN1; SMN2POLBCASP3
SCHEMBL11206315 0.75 CYP2D6 (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14305118 0.75 POLB (1.00) NPC1RAB9ASMN1; SMN2POLBCASP3
SCHEMBL11201618 0.74 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11198402 0.74 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11191574 0.74 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11198301 0.74 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11196341 0.74 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL24811448 0.73 USP7 (0.58) NPC1RAB9ASMN1; SMN2POLBCASP3

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 41/4885SMN1; SMN2 3196/4885

“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.