SCHEMBL10129561

SCHEMBL10129561

Cc1cn(C(C)(C)C)c(=O)c2c(C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
ELANE P08246 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ESR2 Q92731 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PABPC1 P11940 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 2/20 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
SCHEMBL22747513 0.82 ELANE (0.32) BRD4ELANEALDH1A1ESR2
SCHEMBL4069127 0.81 PDE7A (0.33) BRD4ELANEALDH1A1ESR2
SCHEMBL147830 0.80 BRD4 (0.51) BRD4CYP1A2CYP2A6L3MBTL1
SCHEMBL10234059 0.80 BRD4 (0.43) BRD4CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL19001036 0.76 GABRA1 (0.36) BRD4ELANEALDH1A1L3MBTL1
SCHEMBL29712379 0.74 CYP1A2 (0.41) CYP1A2CYP2A6ALDH1A1LMNAKDM4E
SCHEMBL19012502 0.73 FAAH (0.34) ELANECYP1A2ALDH1A1LMNAKDM4E
SCHEMBL4076792 0.72 KMT2A (0.41) ELANECYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL10232908 0.72 BRD4 (0.41) BRD4CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL13083322 0.72 KAT2B (0.37) BRD4CYP1A2CYP2A6ALDH1A1SMN1; SMN2

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
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8110674-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20110201798-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-08-18 US disclosed
US-20110054160-A1 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2011-03-03 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7595306-B2 Method of treating neurodegenerative disease NATIONAL INSTITUTE OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-29 US disclosed
US-20070275914-A1 Therapeutic Compositions BANK OF AMERICA, N.A. 2007-11-29 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070161595-A1 Method of treating neurodegenerative disease MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-07-12 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 (10 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-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA BRD4 2842/4885ELANE 718/4885CYP1A2 4804/4885
US-20110054160-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 BRD4 2399/4885ELANE 289/4885CYP1A2 4881/4885
US-20110201798-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 BRD4 2399/4885ELANE 289/4885CYP1A2 4881/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 BRD4 2420/4885ELANE 578/4885CYP1A2 3847/4885
US-20070161595-A1 Method of treating neurodegenerative disease SNCA, PARK7, NLN BRD4 2743/4885ELANE 2689/4885CYP1A2 4840/4885
US-20120107272-A1 SYNTHETIC METHODS AND DERIVATIVES OF TRIPHOSPHATE OLIGONUCLEOTIDES IFNAR1, DDX18, STING1 BRD4 4340/4885ELANE 1928/4885CYP1A2 2784/4885
US-20070275914-A1 Therapeutic Compositions AGO2, EXOSC5, RNASE1 BRD4 1591/4885ELANE 2998/4885CYP1A2 4371/4885
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS DCLRE1A, PARP1, LIG1 BRD4 727/4885ELANE 1438/4885CYP1A2 4378/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG BRD4 2305/4885ELANE 1838/4885CYP1A2 3615/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 BRD4 2420/4885ELANE 1776/4885CYP1A2 2684/4885

“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.