SCHEMBL3122604

SCHEMBL3122604

O=C(NCCS)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.73
HDAC4 P56524 5/20 0.73
HDAC1 Q13547 5/20 0.73
HDAC7 Q8WUI4 5/20 0.73
HDAC2 Q92769 5/20 0.73
HDAC10 Q969S8 5/20 0.73
HDAC11 Q96DB2 5/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC6 Q9UBN7 5/20 0.73
HDAC9 Q9UKV0 5/20 0.73
HDAC5 Q9UQL6 5/20 0.73
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
EPHX2 P34913 1/20 0.59
PRSS1 P07477 1/20 0.59
CTSG P08311 1/20 0.59

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
SCHEMBL6657326 0.93 HDAC2 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10893655 0.89 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12308200 0.89 HDAC1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9710843 0.88 HDAC1 (0.86) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3192014 0.87 LMNA (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
Emeramide SCHEMBL3077248 0.86 SMN1; SMN2 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20109726 0.86 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
Benzene SCHEMBL17784170 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14789309 0.84 HDAC2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14789321 0.84 HDAC2 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113416160-A Reagent and method for measuring total amount of alpha, beta-unsaturated ketone-containing sesquiterpene lactone in feverfew 四川省中医药科学院 2021-09-21 CN claimed
US-8460445-B2 Corrosion protection coatings BASF SE (DE) 2013-06-11 US claimed
CN-101711269-B Anticorrosive paint BASF SE 2013-05-15 CN claimed
US-20120227618-A1 CORROSION PROTECTION COATINGS BASF SE (DE) 2012-09-13 US claimed
US-20100175583-A1 CORROSION PROTECTION COATINGS BASF SE (DE) 2010-07-15 US claimed
CN-101711269-A Anticorrosive paint BASF SE 2010-05-19 CN claimed
EP-2158276-A1 CORROSION PROTECTION COATINGS Basf Se (DE) 2010-03-03 EP claimed
WO-2008151997-A1 CORROSION PROTECTION COATINGS BASF SE (DE) 2008-12-18 WO claimed
CN-117599029-A Compositions for controlled release of cysteamine and systematic treatment of cysteamine-sensitive disorders 硫创治疗公司 2024-02-27 CN disclosed
EP-3605160-B1 COLOR COMPOSITION FOR SOLID-STATE IMAGING ELEMENT TOPPAN PRINTING CO LTD (JP) 2023-08-02 EP disclosed
US-11614574-B2 Coloring composition for solid-state imaging element TOPPAN PRINTING CO., LTD. (JP) 2023-03-28 US disclosed
CN-109557707-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-10-21 CN disclosed
CN-110007561-B Green photosensitive resin composition, color filter and image display device 东友精细化工有限公司 2022-07-19 CN disclosed
CN-110300919-B Liquid crystal display device having a plurality of pixel electrodes DIC株式会社 2022-07-01 CN disclosed
WO-2000073266-A1 NOVEL ANTIOXIDANTS, PREPARATION METHODS AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-12-07 WO disclosed
EP-0767221-B1 Near infrared ray absorbing compound having high durability and its use MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5788914-A Near infrared ray absorbing compound having high durability and its use MITSUI CHEMICALS, INC. (JP) 1998-08-04 US disclosed
EP-0767221-A1 Near infrared ray absorbing compound having high durability and its use MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-04-09 EP disclosed
US-4210666-A Mucolytic thiophenecarboxamido alkyl mercaptans A. H. ROBINS COMPANY, INC. (US) 1980-07-01 US disclosed
US-4086274-A HYDROGEN SULFIDE THE DOW CHEMICAL COMPANY (US) 1978-04-25 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-20100175583-A1 CORROSION PROTECTION COATINGS MGMT, SOD1, SOD3 HDAC3 3231/4885HDAC4 2052/4885HDAC1 2789/4885

“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.