SCHEMBL8710795

SCHEMBL8710795

COc1ccn(C)c(=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
NNMT P40261 1/20 0.34
BTK Q06187 1/20 0.34
ALOX5 P09917 1/20 0.34
IDH1 O75874 1/20 0.34
P2RY2 P41231 1/20 0.33

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
SCHEMBL15034722 0.79 BTK (0.39) LMNAMAPTBTK
SCHEMBL27612127 0.78 POLB (0.34) BRD9BRD7LMNAMAPTCYP2C9
SCHEMBL15034726 0.77 GLA (0.33) LMNAMAPTCYP2C9SMN1; SMN2POLB
SCHEMBL4363217 0.77 HTT (0.43) LMNAMAPTCYP2C9POLBTDP1
SCHEMBL15034723 0.76 ACACB (0.33) CRBN
SCHEMBL3978485 0.75 CHRNB4 (0.40) BRD9BRD7MAPTBTKIDH1
SCHEMBL31227892 0.74
SCHEMBL22107800 0.73 MTNR1A (0.40) LMNAMAPTPOLBKMT2AMTNR1A
SCHEMBL4078544 0.72 ALDH1A1 (0.54) LMNAMAPTCYP2C9SMN1; SMN2KMT2A
SCHEMBL439647 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20130149283-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) 2013-06-13 US disclosed
EP-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 EP disclosed
EP-1651642-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-11-04 EP disclosed
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
US-7482353-B2 Compositions and methods pertaining to PNA synthons and oligomers comprising a universal base APPLIED BIOSYSTEMS INC. (US) 2009-01-27 US disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2008-05-13 US disclosed
US-20070299022-A1 Antisense Oligonucleotide to Inhibit Melanoma Inhibitory Activity Mia ANTISENSE PHARMA GMBH (DE) 2007-12-27 US disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
US-5744597-A Stereoselective anion glycosylation process for preparing 2'-deoxy-2',2'-difluoronucleosides and 2'-deoxy-2'-fluoronucleosides ELI LILLY AND COMPANY (US) 1998-04-28 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 (3 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-20070299022-A1 Antisense Oligonucleotide to Inhibit Melanoma Inhibitory Activity Mia MCTS1, RNGTT, MSH2 BRD9 4539/4885BRD7 4483/4885LMNA 3286/4885
US-20130149283-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS HAVCR2, HCCS, PYGL BRD9 3992/4885BRD7 3498/4885LMNA 776/4885
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 BRD9 2902/4885BRD7 3506/4885LMNA 1948/4885

“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.