SCHEMBL999904

SCHEMBL999904

O=C(NO)c1cc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 1.00
HDAC3 O15379 3/20 1.00
HDAC4 P56524 3/20 1.00
HDAC7 Q8WUI4 3/20 1.00
HDAC2 Q92769 3/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC11 Q96DB2 3/20 1.00
HDAC8 Q9BY41 3/20 1.00
HDAC6 Q9UBN7 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
BCL2L1 Q07817 1/20 0.67
TMIGD3 P0DMS9 1/20 0.60
ADORA1 P30542 1/20 0.60
STAT1 P42224 1/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL29874896 1.00 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
Formic Acid SCHEMBL31492688 0.93 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL761365 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL741039 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL38664814 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL1853197 0.82 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6321234 0.82 BCL2L1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7209477 0.82 BCL2L1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31356465 0.82 BCL2L1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6919078 0.82 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111841896-B Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2022-10-18 CN disclosed
CN-111841896-A Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2020-10-30 CN disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 CN disclosed
CN-1901902-A Thiophene and benzothiophene hydroxamic acid derivatives ATON PHARMA INC (US) 2007-01-24 CN disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115833-A1 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES WITH CARBAMATE, UREA, AMIDE AND SULFONAMIDE SUBSTITUTIONS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 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 (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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 HDAC1 1/4885HDAC3 7/4885HDAC4 10/4885
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 HDAC1 9/4885HDAC3 27/4885HDAC4 17/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 HDAC1 5/4885HDAC3 3/4885HDAC4 27/4885

“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.