SCHEMBL196507

SCHEMBL196507

COCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
HDAC3 O15379 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
TRPV1 Q8NER1 5/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
NR1H4 Q96RI1 3/20 0.58
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL12376587 0.90 MAPT (0.52) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL9645677 0.86 RAB9A (0.74) SMN1; SMN2MAPTLMNAHDAC3HDAC11
SCHEMBL4611487 0.85 HDAC3 (0.71) SMN1; SMN2MAPTLMNAHDAC3HDAC11
SCHEMBL3882727 0.85 HDAC3 (0.71) SMN1; SMN2MAPTLMNAHDAC3HDAC11
SCHEMBL5456918 0.83 HDAC1 (0.52) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL2054628 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLMNAHDAC3HDAC11
SCHEMBL7303163 0.82 HDAC3 (0.86) SMN1; SMN2MAPTLMNAHDAC3HDAC11
SCHEMBL813368 0.81 HPGD (0.70) SMN1; SMN2MAPTRAB9AHPGDMEN1
SCHEMBL14442112 0.81 HPGD (0.60) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL5697470 0.80 NR1H4 (0.68) SMN1; SMN2MAPTLMNAHDAC3HDAC11

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 14 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-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 SMN1; SMN2 3196/4885MAPT 3716/4885LMNA 2430/4885

“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.