Sugi Predict

Sugi Predict / Compounds / SCHEMBL903574

SCHEMBL903574

SCHEMBL903574

CC(C)(C)c1cccc(NC(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.60
▸ HDAC3 O15379 1/20 0.60
▸ KIF11 P52732 3/20 0.57
▸ P2RX1 P51575 1/20 0.54
▸ KCNJ6 P48051 1/20 0.54
▸ KCNJ5 P48544 1/20 0.54
▸ KCNJ3 P48549 1/20 0.54
▸ KCNK9 Q9NPC2 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL27397295 0.88 KIF11 (0.59) HDAC8HDAC6HDAC3KIF11ALDH1A1
SCHEMBL32675964 0.85 RAF1 (0.65) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL2093456 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL1689404 0.84 HDAC3 (0.62) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL30695893 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL2093458 0.84 HDAC8 (0.62) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL15054296 0.83 AKR1C3 (0.56) HDAC8HDAC6HDAC3KIF11
SCHEMBL13015648 0.82 NPSR1 (0.65) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL6483594 0.82 HDAC8 (0.60) HDAC8HDAC6HDAC3P2RX1KCNJ6
SCHEMBL16450915 0.82 HDAC8 (0.53) HDAC8HDAC6HDAC3P2RX1KCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 — — EP claimed
EP-1158985-B1 OMEGA-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2011-12-28 — — EP claimed
CN-1341098-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2002-03-20 — — CN claimed
US-11718585-B2 Bis-cyclic guanidines as antibacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2023-08-08 — — US disclosed
US-11718585-B2 Bis-cyclic guanidines as antibacterial agents UNIVERSITY OF SOUTH FLORIDA (US) 2023-08-08 — — US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 — — US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 — — US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 — — US disclosed
US-20220119352-A1 BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS NATIONAL SCIENCE FOUNDATION 2022-04-21 — — US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 — — US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 — — US disclosed
CN-100522934-C Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2009-08-05 — — CN disclosed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 — — US disclosed
CN-1721397-A Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2006-01-18 — — CN disclosed
CN-1219764-C Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER AG (US) 2005-09-21 — — CN disclosed
EP-1005459-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 2000-06-07 — — EP disclosed
WO-1999014197-A1 SUBSTITUTED ISOQUINOLINES AS ANTICONVULSIVANTS SMITHKLINE BEECHAM PLC (GB) 1999-03-25 — — WO 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-20220119352-A1 BIS-CYCLIC GUANIDINES AS ANTIBACTERIAL AGENTS GMPS, CGAS, GDA HDAC8 1443/4885HDAC6 459/4885HDAC3 1295/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 HDAC8 2397/4885HDAC6 888/4885HDAC3 1155/4885
US-11718585-B2 Bis-cyclic guanidines as antibacterial agents GMPS, CGAS, GDA HDAC8 1443/4885HDAC6 459/4885HDAC3 1295/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 HDAC8 1148/4885HDAC6 384/4885HDAC3 187/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 HDAC8 2762/4885HDAC6 1271/4885HDAC3 2016/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 HDAC8 2008/4885HDAC6 1184/4885HDAC3 1075/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 HDAC8 1629/4885HDAC6 1376/4885HDAC3 197/4885

“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.