Sugi Predict

Sugi Predict / Compounds / SCHEMBL4250752

SCHEMBL4250752

SCHEMBL4250752

CC(C)(C)c1ccc(C(=O)Nc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNK9 Q9NPC2 1/20 0.81
▸ HDAC8 Q9BY41 2/20 0.72
▸ HDAC6 Q9UBN7 2/20 0.72
▸ HDAC3 O15379 1/20 0.72
▸ HDAC11 Q96DB2 1/20 0.72
▸ TRPV1 Q8NER1 3/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ NAMPT P43490 1/20 0.68
▸ NR1H4 Q96RI1 4/20 0.67
▸ PTPN1 P18031 1/20 0.67
▸ HDAC2 Q92769 1/20 0.65
▸ TP53 P04637 1/20 0.64
▸ THRB P10828 1/20 0.64
▸ KCNK3 O14649 1/20 0.63

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
SCHEMBL19501539 0.93 NR1H4 (0.73) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL30994891 0.93 KCNK9 (0.72) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL7302565 0.93 KCNK9 (0.76) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL7303163 0.90 HDAC3 (0.86) HDAC8HDAC6HDAC3HDAC11TRPV1
SCHEMBL12044572 0.90 PTPN1 (0.70) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL5226864 0.88 NR1H4 (0.77) KCNK9SMN1; SMN2NR1H4TP53THRB
SCHEMBL3873116 0.87 NR1H4 (0.81) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL7297239 0.87 NR1H4 (0.81) KCNK9HDAC8HDAC6HDAC3HDAC11
SCHEMBL1315526 0.86 PTPN1 (0.87) KCNK9HDAC8HDAC6HDAC3NPC1
SCHEMBL30994893 0.86 PGR (0.74) KCNK9HDAC8HDAC6HDAC3HDAC11

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 40 patents — showing the first 20. 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-119264004-A Light-induced iridium metal catalytic synthesis method of N-aryl amide 平顶山学院 2025-01-07 — — CN disclosed
EP-3395795-B1 MALONONITRILE OXIME ETHER COMPOUND AND USE THEREOF SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2023-07-19 — — EP disclosed
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2020-06-11 — — US 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-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 — — US disclosed
CN-107628964-B A kind of synthetic method of N- aryl Zhong Fang amide 陕西科技大学 2019-06-21 — — CN disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — US disclosed
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 — — US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 — — US 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 (7 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 2816/4885HDAC8 2185/4885HDAC6 3533/4885
US-20200181090-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK KCNK9 1724/4885HDAC8 1739/4885HDAC6 1012/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK KCNK9 1724/4885HDAC8 1739/4885HDAC6 1012/4885
US-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK KCNK9 1724/4885HDAC8 1739/4885HDAC6 1012/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK KCNK9 1724/4885HDAC8 1739/4885HDAC6 1012/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 KCNK9 1229/4885HDAC8 125/4885HDAC6 22/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK KCNK9 1724/4885HDAC8 1739/4885HDAC6 1012/4885

“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.