SCHEMBL6464894

SCHEMBL6464894

CC(C)(C)NC(=O)c1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.66
MMP3 P08254 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
DEGS1 O15121 1/20 0.53
GAA P10253 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL6748580 0.83 WDR5 (0.56) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL10719823 0.83 LDHA (0.59) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL11474339 0.83 PLK1 (0.53) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL6636042 0.83 PLK1 (0.62) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL6748722 0.82 MAPT (0.61) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL10587317 0.82 PLK1 (0.66) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL161966 0.81 KDM4E (0.49) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL28609369 0.81 POLB (0.46) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL6844201 0.80 KDM4E (0.48) PLK1MMP3HDAC8POLBKDM4E
SCHEMBL9829318 0.80 PLK1 (0.54) PLK1MMP3HDAC8NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362190-A Preparation method of polysubstituted olefin 广东工业大学 2024-01-09 CN claimed
CN-117362190-A Preparation method of polysubstituted olefin 广东工业大学 2024-01-09 CN disclosed
US-9464064-B2 HCV helicase inhibitors and methods of use thereof UNIVERSITY OF KANSAS (US) 2016-10-11 US disclosed
US-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof UWM RESEARCH FOUNDATION, INC. (US) 2014-08-14 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease PHARMACIA & UPJOHN 2005-02-17 US disclosed
EP-1443923-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003037325-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed
EP-0695184-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 1999-04-21 EP disclosed
US-5863950-A AMIDES OR THIO AMIDE COMPOUNDS WITH HYDROXY OR ETHER GROUPS AGOURON PHARMACEUTICALS, INC. (US) 1999-01-26 US disclosed
US-5714518-A HIV protease inhibitors and methods of making the same AGOURON PHARMACEUTICALS (US) 1998-02-03 US disclosed
EP-0695184-A4 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 1996-05-22 EP disclosed
EP-0695184-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-07 EP disclosed
WO-1994015906-A1 HIV PROTEASE INHIBITORS AND THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1994-07-21 WO disclosed
WO-1994015608-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1994-07-21 WO disclosed
EP-0068219-B1 PROCESS FOR THE SIMULTANEOUS PREPARATION OF CARBOXYLIC ACIDS AND N-TERT,-ALKYL AMINES BAYER AG (DE) 1984-08-29 EP disclosed
EP-0068219-A1 Process for the simultaneous preparation of carboxylic acids and N-tert,-alkyl amines BAYER AG (DE) 1983-01-05 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 (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-20140227225-A1 HCV Helicase Inhibitors and Methods of Use Thereof DHX15, DDX5, DHX35 PLK1 903/4885MMP3 2058/4885HDAC8 2256/4885
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease BACE1, APP, BACE2 PLK1 3870/4885MMP3 689/4885HDAC8 465/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX PLK1 2764/4885MMP3 288/4885HDAC8 1490/4885

“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.