SCHEMBL498655

SCHEMBL498655

CC[CH]C(=O)N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
EHMT2 Q96KQ7 3/20 0.38
EHMT1 Q9H9B1 3/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTR1A P08908 2/20 0.32
ABCB11 O95342 2/20 0.32

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
SCHEMBL6043327 0.81 NPC1 (0.39) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL497603 0.79 NPC1 (0.38) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL5209918 0.79 ALDH1A1 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL1395649 0.77 NPC1 (0.54) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL1630772 0.77 NPC1 (0.54) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL1022195 0.77 NPC1 (0.54) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL498179 0.75 CA12 (0.42) NPC1L3MBTL1LMNAMMP1MMP2
SCHEMBL8132436 0.75 CA1 (0.46) LMNACA12CA1CA9CA2
SCHEMBL5205827 0.75 CA12 (0.50) MMP1MMP2MMP3MMP8CA12
SCHEMBL497834 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115175967-B Ionic liquids for stabilizing viscosity of silicate-based coatings 巴斯夫欧洲公司 2024-06-14 CN disclosed
CN-115175967-A Ionic liquids for stabilizing viscosity of silicate-based coatings 巴斯夫欧洲公司 2022-10-11 CN disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-5300648-A Analgesics, antiinflammatory agents SOCIETE ANONYME: ELF SANOFI (FR) 1994-04-05 US disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
US-4988718-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4968687-A AGRICULTURAL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
EP-0359078-A1 Substituted heterocyclyl-oximino-pyrazolin-5-ones, method for their preparation and their use as herbicides BAYER AG (DE) 1990-03-21 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 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 (2 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT NPC1 1912/4885L3MBTL1 2490/4885LMNA 715/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI NPC1 2944/4885L3MBTL1 2165/4885LMNA 1440/4885

“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.