SCHEMBL5522367

SCHEMBL5522367

Nc1ccc(-c2ccc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ASIC3 Q9UHC3 1/20 0.47
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
HSD17B10 Q99714 1/20 0.44
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
CHEK1 O14757 2/20 0.38
RIPK1 Q13546 1/20 0.38
PYGM P11217 1/20 0.36
APP P05067 2/20 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
SCHEMBL9419852 0.87 HDAC6 (0.57) HDAC1HDAC6AURKAAURKBINCENP
SCHEMBL28511258 0.80 MAOA (0.55) HDAC1HDAC6CYP3A4ALDH1A1TAAR1
SCHEMBL380666 0.79
SCHEMBL28723386 0.78 ADORA2A (0.38) HDAC1HDAC6ASIC3CYP3A4TDP1
SCHEMBL27462334 0.78 HDAC1 (0.50) HDAC1HDAC6CYP3A4TDP1ALDH1A1
SCHEMBL80142 0.77 HDAC1 (0.48) HDAC1HDAC6CYP3A4TDP1ALDH1A1
Hydrochloric Acid SCHEMBL3824245 0.77 HDAC6 (0.48) HDAC1HDAC6CYP3A4AURKAAURKB
SCHEMBL9302892 0.76 HDAC1 (0.48) HDAC1HDAC6ALDH1A1MEN1MAPT
SCHEMBL5106225 0.76 HDAC1 (0.48) HDAC1HDAC6AURKACHEK1PYGM
SCHEMBL1260031 0.76 HDAC1 (0.48) HDAC1HDAC6AURKACHEK1PYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117542666-A Porous ordered graphene/polypyrrole covalent composite supercapacitor electrode material and preparation method and application thereof 华南理工大学 2024-02-09 CN claimed
CN-118355319-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and compound 日产化学株式会社 2024-07-16 CN disclosed
CN-118056157-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-05-17 CN disclosed
CN-118020019-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-05-10 CN disclosed
CN-118020020-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-05-10 CN disclosed
CN-117957488-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-04-30 CN disclosed
CN-117897656-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-04-16 CN disclosed
CN-117716282-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, compound and polymer 日产化学株式会社 2024-03-15 CN disclosed
CN-117624596-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element and manufacturing method thereof 日产化学株式会社 2024-03-01 CN disclosed
CN-117542666-A Porous ordered graphene/polypyrrole covalent composite supercapacitor electrode material and preparation method and application thereof 华南理工大学 2024-02-09 CN disclosed
EP-1691791-A2 CAPSULES OF MULTILAYERED NEUTRAL POLYMER FILMS ASSOCIATED BY HYDROGEN BONDING Trustees of Stevens Institute of Technology (US) 2006-08-23 EP disclosed
US-20050163714-A1 Capsules of multilayered neutral polymer films associated by hydrogen bonding STEVENS INSTITUTE OF TECHNOLOGY 2005-07-28 US disclosed
WO-2005032512-A2 CAPSULES OF MULTILAYERED NEUTRAL POLYMER FILMS ASSOCIATED BY HYDROGEN BONDING TRUSTEES OF STEVENS INSTITUTE OF TECHNOLOGY (US) 2005-04-14 WO disclosed
US-20040137039-A1 Methods for controlled release of molecules from layered polymer films TRUSTEES OF STEVENS INSTITUTE OF TECHNOLOGY 2004-07-15 US disclosed
EP-0475160-B2 Preparation for drug application in minute droplet form IDEA AG (DE) 2004-07-14 EP disclosed
US-6165500-A Preparation for the application of agents in mini-droplets IDEA AG (DE) 2000-12-26 US disclosed
EP-0475160-B1 Preparation for drug application in minute droplet form IDEA AG (DE) 1996-02-14 EP disclosed
EP-0475160-A1 Preparation for drug application in minute droplet form Cevc, Gregor, Prof. Dr. (DE) 1992-03-18 EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 WO disclosed
US-4385112-A CULTURES, PSEUDOMONAS, QUANTITATIVE NUCLEOSIDE ASSAY, MAKING NUCLEOSIDE-5-CARBOXYLIC ACIDS TOYO JOZO KABUSHIKI KAISHA (JP) 1983-05-24 US 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 (1 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-20050163714-A1 Capsules of multilayered neutral polymer films associated by hydrogen bonding C5, NCL, CHMP4B HDAC1 3248/4885HDAC6 1184/4885ASIC3 2625/4885

“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.