SCHEMBL4072935

SCHEMBL4072935

CC(=O)Nc1ccc2ccc3c(nc(C)n3C(C)(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITK Q08881 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL12232835 0.89 KDM4E (0.39) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL10183716 0.81 CYP1A2 (0.48) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL3637649 0.70 NPC1 (0.53) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL16923187 0.69 KDM4E (0.53) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL26581256 0.67 TP53 (0.53) NPC1KDM4EMAPTKMT2ALMNA
SCHEMBL3952992 0.66 KMT2A (0.60) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL8577441 0.66 MEN1 (0.68) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL11077511 0.64 MAPT (0.44) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL8576078 0.64 MEN1 (0.66) NPC1KDM4EMAPTRAB9AMEN1
SCHEMBL7726215 0.64 NPSR1 (0.86) NPC1KDM4EMAPTRAB9AMEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193270-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. 2018-07-12 US disclosed
US-20170283801-A1 THERAPEUTIC COMPOSITIONS BANK OF AMERICA, N.A. 2017-10-05 US disclosed
US-9708615-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160376591-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS BANK OF AMERICA, N.A. 2016-12-29 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-8420799-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 US disclosed
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2012-08-23 US disclosed
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110201798-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-08-18 US disclosed
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE ALNYLAM PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110054160-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-03-03 US disclosed
US-20110027882-A1 Methods and Compositions for Treating Neurological Disease UNIVERSITY OF MASSACHUSETTS 2011-02-03 US 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 (12 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-20180193270-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 NPC1 191/4885KDM4E 2088/4885MAPT 1247/4885
US-20110054160-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 NPC1 193/4885KDM4E 3864/4885MAPT 3036/4885
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA NPC1 68/4885KDM4E 4076/4885MAPT 38/4885
US-20110201798-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 NPC1 193/4885KDM4E 3864/4885MAPT 3036/4885
US-20120214861-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA NPC1 68/4885KDM4E 4076/4885MAPT 38/4885
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA NPC1 4724/4885KDM4E 2182/4885MAPT 3501/4885
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE EIF2AK2, IRF3, NSUN2 NPC1 3157/4885KDM4E 2930/4885MAPT 3977/4885
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES IFNAR1, DDX18, STING1 NPC1 3348/4885KDM4E 3656/4885MAPT 4731/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 NPC1 4730/4885KDM4E 1948/4885MAPT 3723/4885
US-20170283801-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 NPC1 193/4885KDM4E 3864/4885MAPT 3036/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 NPC1 4730/4885KDM4E 1948/4885MAPT 3723/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 NPC1 4457/4885KDM4E 1792/4885MAPT 3742/4885

“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.