SCHEMBL653441

SCHEMBL653441

O=C(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.48
BRAF P15056 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.45
F2RL1 P55085 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28838982 0.90 RAB9A (0.66) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8736210 0.87 RAB9A (0.62) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL173275 0.83 NPC1 (0.50) RAB9ANPC1KMT2ASMN1; SMN2HTT
SCHEMBL27805818 0.82 KMT2A (0.77) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL31544350 0.82 NPC1 (0.57) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL1141372 0.82 NPC1 (0.57) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL3473764 0.81 RAB9A (0.70) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL10834286 0.81 NPC1 (0.70) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6420193 0.81 NPC1 (1.00) RAB9ANPC1KMT2AALDH1A1BRAF
SCHEMBL653633 0.81 NPC1 (0.70) RAB9ANPC1KMT2AALDH1A1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217552-A N-phenylcarbazole fluorescent compound for labeling alcohol compounds, and synthetic method and application thereof 曲阜师范大学 2023-06-06 CN claimed
US-8586481-B2 Chemical planarization of copper wafer polishing APPLIED MATERIALS, INC. (US) 2013-11-19 US claimed
CN-102893376-A Chemical planarization for copper wafer polishing APPLIED MATERIALS INC 2013-01-23 CN claimed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US claimed
US-20110294293-A1 CHEMICAL PLANARIZATION OF COPPER WAFER POLISHING APPLIED MATERIALS, INC. (US) 2011-12-01 US claimed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US claimed
US-7390429-B2 Method and composition for electrochemical mechanical polishing processing APPLIED MATERIALS, INC. (US) 2008-06-24 US claimed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US claimed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US claimed
WO-2007047454-A2 PROCESS AND COMPOSITION FOR ELECTROCHEMICAL MECHANICAL POLISHING APPLIED MATERIALS, INC. (US) 2007-04-26 WO claimed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 EP claimed
EP-0894512-A1 Use of stabilised decontaminating compositions for the decontamination of toxic agents and/or pollutants Irdec S.A. (FR) 1999-02-03 EP claimed
EP-0606762-B1 Antibacterial resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1998-08-05 EP claimed
EP-0390558-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1994-09-07 EP claimed
EP-0606762-A2 Antibacterial resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-07-20 EP claimed
CN-1086812-A The preparation method of novel aromatization enzyme inhibitor 4 (5)-imidazoles ORION YHTYMAE OY (FI) 1994-05-18 CN claimed
CN-1046527-A Novel aromatase inhibitor 4(5) -imidazoles FARMOS OY (FI) 1990-10-31 CN claimed
EP-0390558-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1990-10-03 EP claimed
EP-0007678-B1 OXIME ETHERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ACF CHEMIEFARMA NV (NL) 1983-03-30 EP claimed
EP-0007678-A1 Oxime ethers, their preparation and pharmaceutical compositions containing them ACF CHEMIEFARMA NV (NL) 1980-02-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 RAB9A 2158/4885NPC1 61/4885KMT2A 3770/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM RAB9A 3673/4885NPC1 229/4885KMT2A 2363/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 RAB9A 2805/4885NPC1 719/4885KMT2A 1829/4885

“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.