SCHEMBL416418

SCHEMBL416418

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
TNKS O95271 3/20 0.53
TNKS2 Q9H2K2 3/20 0.53
KIF11 P52732 3/20 0.49
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
XDH P47989 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
SCD O00767 1/20 0.43
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 2/20 0.41
PARP1 P09874 1/20 0.41
RARB P10826 1/20 0.41
CYP19A1 P11511 2/20 0.40

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
SCHEMBL416514 0.98 HDAC6 (0.56) HDAC6TNKSTNKS2KIF11POLB
SCHEMBL17948203 0.84 NPC1 (0.57) POLBL3MBTL1NPC1RAB9ASCN2A
SCHEMBL415068 0.82 KIF11 (0.68) HDAC6KIF11NPC1DGAT1KCNH2
SCHEMBL3421942 0.82 KIF11 (0.59) HDAC6KIF11XDHNPC1RAB9A
SCHEMBL128222 0.82 KIF11 (0.59) HDAC6KIF11XDHNPC1RAB9A
SCHEMBL421297 0.81 KIF11 (0.68) HDAC6TNKSTNKS2KIF11XDH
SCHEMBL415167 0.80 HDAC6 (0.47) HDAC6TNKSTNKS2POLBL3MBTL1
SCHEMBL416443 0.80 METAP2 (0.53) HDAC6TNKSTNKS2KIF11POLB
Ethane SCHEMBL27903947 0.80 KIF11 (0.57) HDAC6KIF11XDHNPC1RAB9A
SCHEMBL384952 0.79 NPC1 (0.61) TNKSTNKS2POLBL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
US-12178060-B2 Electroluminescent device, method for manufacturing the same, display panel and display device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2024-12-24 US disclosed
CN-116789517-A Aryl or heteroaryl derivative and organic electroluminescent element comprising same 株式会社乐普拓 2023-09-22 CN disclosed
US-20230095563-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, ILLUMINATION APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
US-20220238828-A1 ELECTROLUMINESCENT DEVICE, METHOD FOR MANUFACTURING THE SAME, DISPLAY PANEL AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2022-07-28 US disclosed
EP-2821410-B1 Ancillary ligands for organometallic complexes UNIVERSAL DISPLAY CORP (US) 2018-01-31 EP disclosed
US-20160111663-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-20160111663-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-21 US disclosed
US-8673457-B2 Organic electroluminescence device and light emitting apparatus CANON KABUSHIKI KAISHA (JP) 2014-03-18 US disclosed
US-8673457-B2 Organic electroluminescence device and light emitting apparatus CANON KABUSHIKI KAISHA (JP) 2014-03-18 US disclosed
US-20100181898-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LIGHT EMITTING APPARATUS CANON KABUSHIKI KAISHA (JP) 2010-07-22 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
WO-2007113984-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LIGHT EMITTING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO disclosed
US-20070231599-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LIGHT EMITTING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-20070231599-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND LIGHT EMITTING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-20070138947-A1 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-06-21 US disclosed
US-20070138947-A1 Organic light emitting devices LG.PHILIPS LCD CO., LTD. (KR) 2007-06-21 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-20230095563-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, ILLUMINATION APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE L1CAM, ORMDL3, TLL1 HDAC6 4556/4885TNKS 4703/4885TNKS2 4746/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885TNKS 1569/4885TNKS2 1889/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885TNKS 1569/4885TNKS2 1889/4885

“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.