SCHEMBL7302565

SCHEMBL7302565

CC(C)(C)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.76
HDAC3 O15379 1/20 0.72
HDAC11 Q96DB2 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
TRPV1 Q8NER1 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 1/20 0.68
NR1H4 Q96RI1 2/20 0.67
PTPN1 P18031 1/20 0.67
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66
SIRT1 Q96EB6 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.65
TP53 P04637 1/20 0.64

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
SCHEMBL4250752 0.93 KCNK9 (0.81) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL7303163 0.90 HDAC3 (0.86) HDAC3HDAC11HDAC8HDAC6NPC1
SCHEMBL30994891 0.90 KCNK9 (0.72) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL19501539 0.90 NR1H4 (0.73) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL12044572 0.90 PTPN1 (0.70) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL28655554 0.89 KCNK9 (0.67) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL3873116 0.87 NR1H4 (0.81) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL7297239 0.87 NR1H4 (0.81) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL2908907 0.87 HDAC6 (0.74) KCNK9HDAC3HDAC11HDAC8HDAC6
SCHEMBL2345780 0.87 EPHX1 (0.68) KCNK9HDAC3HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP claimed
CN-118048636-B Electrocatalytic synthesis method for N-aryl amide 平顶山学院 2024-09-13 CN disclosed
CN-118048636-A Electrocatalytic synthesis method for N-aryl amide 平顶山学院 2024-05-17 CN disclosed
CN-114276270-A Synthesis method of compound with amido bond 湖北文理学院 2022-04-05 CN disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
CN-100335468-C Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2007-09-05 CN disclosed
CN-1712398-A Diaryl amidine compound, its production, medicinal composition and use DRUG INST CHINESE ACADEMY OF M (CN) 2005-12-28 CN disclosed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 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 (1 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 KCNK9 2816/4885HDAC3 3413/4885HDAC11 1894/4885

“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.