SCHEMBL8845396

SCHEMBL8845396

CCc1nc2cc(C)c(C)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
MAPT P10636 2/20 0.70
ATM Q13315 2/20 0.70
PSMD14 O00487 1/20 0.70
MMP2 P08253 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
FABP6 P51161 1/20 0.55
KDM4E B2RXH2 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MCL1 Q07820 1/20 0.53
DDAH1 O94760 1/20 0.53
F10 P00742 1/20 0.50
PDE10A Q9Y233 1/20 0.50
HRH4 Q9H3N8 1/20 0.45
POLB P06746 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL7853107 0.86 KMT2A (0.72) KMT2AMEN1MAPTATMPSMD14
SCHEMBL30701865 0.86 KMT2A (0.72) KMT2AMEN1MAPTATMPSMD14
SCHEMBL12837407 0.85 KMT2A (0.66) KMT2AMEN1MAPTATMPSMD14
SCHEMBL26031617 0.82 GAA (0.62) KMT2AMEN1MAPTATMPSMD14
SCHEMBL3312289 0.82 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL9999681 0.82 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL11222676 0.82 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL9667178 0.82 KMT2A (1.00) KMT2AMEN1MAPTATMPSMD14
SCHEMBL2792513 0.82 KMT2A (0.68) KMT2AMEN1MAPTATMPSMD14
SCHEMBL9123593 0.82 KMT2A (0.62) KMT2AMEN1MAPTATMPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109853030-B Metal oxide nanocrystalline coated by metal organic framework film and preparation method and application thereof 中国科学院福建物质结构研究所 2020-11-20 CN claimed
CN-109853030-A A kind of metallic oxide nanocrystal and its preparation method and application of metal organic frame film coated 中国科学院福建物质结构研究所 2019-06-07 CN claimed
CN-109853030-B Metal oxide nanocrystalline coated by metal organic framework film and preparation method and application thereof 中国科学院福建物质结构研究所 2020-11-20 CN disclosed
CN-109853030-A A kind of metallic oxide nanocrystal and its preparation method and application of metal organic frame film coated 中国科学院福建物质结构研究所 2019-06-07 CN disclosed
EP-2970074-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS Dow Technology Investments LLC (US) 2016-01-20 EP disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
WO-2014149915-A1 HETEREOCYCLIC AGENT AS CATALYTIC STABILIZING AGENT IN A HYDROFORMYLATION PROCESS DOW TECHNOLOGY INVESTMENTS LLC (US) 2014-09-25 WO disclosed
US-8242149-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-14 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 US disclosed
WO-1997020798-A1 IMPROVED METAL-LIGAND COMPLEX CATALYZED PROCESSES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-06-12 WO disclosed
EP-0119851-A2 Colour reversal light-sensitive photographic material FUJI PHOTO FILM CO., LTD. (JP) 1984-09-26 EP 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 (8 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885MAPT 4269/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 KMT2A 4191/4885MEN1 4860/4885MAPT 4011/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4344/4885MEN1 4698/4885MAPT 4347/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885MAPT 4731/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885MAPT 4269/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885MAPT 4269/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 KMT2A 2654/4885MEN1 3635/4885MAPT 2856/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 KMT2A 177/4885MEN1 3299/4885MAPT 1522/4885

“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.