SCHEMBL2004568

SCHEMBL2004568

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA2 P00918 3/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 2/20 0.41
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
EPHX2 P34913 5/20 0.37
NR1H4 Q96RI1 3/20 0.37
GRIA4 P48058 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL21089 0.82 MIF (0.44) TSHR
SCHEMBL22471901 0.80 MIF (0.43) TSHR
Water SCHEMBL29040332 0.80 MIF (0.43) TSHR
Water SCHEMBL14972874 0.80 MIF (0.43) TSHR
SCHEMBL460071 0.80 POLB (0.34) BCHEACHE
SCHEMBL8816811 0.80 GABRA1 (0.37)
SCHEMBL3855689 0.80 MIF (0.57) TSHRCA2TP53CA1BCHE
SCHEMBL1648872 0.80 MIF (0.49) BCHEACHE
SCHEMBL436823 0.79 IDO1 (0.42) TSHRCA2TP53CA1ACHE
SCHEMBL28911605 0.78 KCNH2 (0.49) TSHRCA2TP53CA1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396192-A Diurea anti-sagging agent and synthesis method thereof 天津大学 2023-07-07 CN claimed
CN-116063588-A Sagging-resistant resin and preparation method and application thereof 天津大学 2023-05-05 CN claimed
CN-116396192-A Diurea anti-sagging agent and synthesis method thereof 天津大学 2023-07-07 CN disclosed
CN-116063588-A Sagging-resistant resin and preparation method and application thereof 天津大学 2023-05-05 CN disclosed
CN-116063588-A Sagging-resistant resin and preparation method and application thereof 天津大学 2023-05-05 CN disclosed
CN-111057002-B Synthetic method of 2-aminoquinolone compound 西安交通大学 2021-08-13 CN disclosed
CN-111057002-A Synthetic method of 2-aminoquinolone compound 西安交通大学 2020-04-24 CN disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-20040044003-A1 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. 2004-03-04 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
WO-2003066595-A2 2 - PIPERAZINE - PYRIDINES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2003-08-14 WO disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed
WO-1997011052-A1 UREA DERIVATIVES AND THEIR USE AS ANALGESICS AND ANTIINFLAMMATORY AGENTS NOVARTIS AG (CH) 1997-03-27 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 (5 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 TSHR 74/4885CA2 1239/4885TP53 3496/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 TSHR 3724/4885CA2 1657/4885TP53 3579/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 TSHR 3722/4885CA2 1619/4885TP53 3598/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT TSHR 3496/4885CA2 3631/4885TP53 1478/4885
US-20040044003-A1 Therapeutic agents useful for treating pain GRIK5, HBS1L, GABRR1 TSHR 2025/4885CA2 3927/4885TP53 4828/4885

“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.