SCHEMBL1889591

SCHEMBL1889591

O=C(Cc1ccc(Cl)cc1)Nc1ccc2cc(C(=O)NO)sc2c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.79
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
NLRP3 Q96P20 1/20 0.50

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
SCHEMBL1885128 0.91 HDAC1 (0.78) HDAC1LMNAHTTMEN1KMT2A
SCHEMBL1891506 0.88 HDAC1 (1.00) HDAC1SMN1; SMN2
SCHEMBL1884503 0.88 HDAC1 (1.00) HDAC1
SCHEMBL1880667 0.85 HDAC1 (1.00) HDAC1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1890679 0.81 HDAC1 (0.58) HDAC1
SCHEMBL1884367 0.81 HDAC1 (0.77) HDAC1LMNAHTTMEN1KMT2A
SCHEMBL3503923 0.81 HDAC1 (0.78) HDAC1
SCHEMBL12663156 0.81 HDAC1 (0.78) HDAC1MEN1KMT2AMAPT
SCHEMBL1885064 0.80 HDAC1 (0.76) HDAC1
SCHEMBL1885804 0.80 HDAC1 (0.61) HDAC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US claimed
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 9/4885LMNA 4540/4885HTT 23/4885

“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.