SCHEMBL1886020

SCHEMBL1886020

O=C(NO)c1sc2ccccc2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 1.00
▸ HDAC8 Q9BY41 1/20 1.00
▸ HDAC6 Q9UBN7 1/20 1.00
▸ OGG1 O15527 1/20 0.73
▸ MCL1 Q07820 1/20 0.67
▸ RAB9A P51151 11/20 0.66
▸ NPC1 O15118 10/20 0.66
▸ MAPT P10636 11/20 0.62
▸ SMN1; SMN2 Q16637 10/20 0.62
▸ TP53 P04637 3/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ ALDH1A1 P00352 7/20 0.59
▸ GAA P10253 2/20 0.59
▸ KMT2A Q03164 7/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ LMNA P02545 2/20 0.58

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
SCHEMBL7984062 0.88 HDAC1 (0.79) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL6477287 0.85 OGG1 (1.00) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL5935569 0.82 MAPT (0.79) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL7088656 0.82 MCL1 (0.76) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL8631382 0.81 OGG1 (0.70) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL12768191 0.81 HDAC1 (0.68) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL12644102 0.80 MCL1 (0.73) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL444722 0.80 MCL1 (1.00) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL64428 0.80 MCL1 (0.73) HDAC1HDAC8HDAC6OGG1MCL1
SCHEMBL29911721 0.80 MCL1 (1.00) HDAC1HDAC8HDAC6OGG1MCL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 — — US claimed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 — — US disclosed
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 — — EP 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
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 (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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 HDAC1 9/4885HDAC8 75/4885HDAC6 14/4885

“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.

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