SCHEMBL3594003

SCHEMBL3594003

[C-]#[N+]c1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
GSK3B P49841 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
IDO1 P14902 3/20 0.36
NOTUM Q6P988 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29953534 1.00 ENPP2 (0.44) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL1629915 0.84 FBP1 (0.50) MAOB
SCHEMBL12230306 0.81 FBP1 (0.48) MAOB
SCHEMBL11930766 0.81 CLK4 (0.54) TSHRCLK4ALDH1A1MAPTIDO1
SCHEMBL12271100 0.81 ENPP2 (0.57) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL12417362 0.81 CLK4 (0.36) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL28592899 0.80 ENPP2 (0.45) ENPP2TSHRCLK4GSK3BDRD2
SCHEMBL11930765 0.80 CLK4 (0.53) TSHRCLK4ALDH1A1MAPTIDO1
SCHEMBL13170987 0.78 PGR (0.47) CLK4ALDH1A1
SCHEMBL12408530 0.78 TBXAS1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812660-B2 Organic compound, electroluminescent material and application thereof WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-11-07 US disclosed
US-11793071-B2 Organic compound, electroluminescent material, and use thereof WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-10-17 US disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-20230295449-A1 COMPOSITION AND LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
US-20230189643-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230157150-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-05-18 US disclosed
US-11647671-B2 Compound and organic electro-optical device containing the same WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2023-05-09 US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 US disclosed
US-20110129738-A1 NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2011-06-02 US disclosed
US-7811681-B2 Electron transport compound and organic light emitting device comprising the same LG DISPLAY CO., LTD. (KR) 2010-10-12 US disclosed
US-20100072437-A1 COMPOSITION, COLOR FILTER AND PROCESS FOR PREPARING COLOR FILTER FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES MEDIVIR AB 2010-02-18 US disclosed
EP-2111396-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES Tibotec Pharmaceuticals Ltd. (IE) 2009-10-28 EP disclosed
US-7595417-B2 Cyanation of aromatic halides MERCK & CO., INC. (US) 2009-09-29 US disclosed
US-20090130726-A1 PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
US-20070167626-A1 Electron transport compound and organic light emitting device comprising the same LG ELECTRONICS INC. 2007-07-19 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ENPP2 3140/4885TSHR 4540/4885CLK4 3160/4885
US-20070167626-A1 Electron transport compound and organic light emitting device comprising the same TIMM9, SLCO4C1, SLC25A21 ENPP2 3545/4885TSHR 3970/4885CLK4 3650/4885
US-20100041728-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES COPB1, HAVCR2, NOD1 ENPP2 4296/4885TSHR 4776/4885CLK4 3839/4885
US-11793071-B2 Organic compound, electroluminescent material, and use thereof LEF1, SLCO2A1, SLCO2B1 ENPP2 2119/4885TSHR 4427/4885CLK4 2380/4885
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 ENPP2 3094/4885TSHR 3827/4885CLK4 550/4885
US-11812660-B2 Organic compound, electroluminescent material and application thereof MRPS22, RPS3A, MRPS23 ENPP2 2324/4885TSHR 1949/4885CLK4 1077/4885
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 ENPP2 938/4885TSHR 705/4885CLK4 2860/4885
US-11647671-B2 Compound and organic electro-optical device containing the same EPCAM, LPO, CYBA ENPP2 2490/4885TSHR 3745/4885CLK4 2938/4885
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device L1CAM, CCNL2, CTNND1 ENPP2 3094/4885TSHR 3827/4885CLK4 550/4885
US-20230157150-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME OCIAD1, EML4, OCIAD2 ENPP2 4230/4885TSHR 4772/4885CLK4 1249/4885

“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.