SCHEMBL1891202

SCHEMBL1891202

O=C(NO)c1cc2cc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.65
HDAC4 P56524 1/20 0.54
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
FFAR2 O15552 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL1885804 0.89 HDAC1 (0.61) HDAC1HDAC4ALDH1A1FFAR2LMNA
Hydroxyamine SCHEMBL4255496 0.88 HDAC1 (0.52) HDAC1HDAC4ALDH1A1GAASMN1; SMN2
SCHEMBL1890679 0.87 HDAC1 (0.58) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL1885128 0.80 HDAC1 (0.78) HDAC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1886032 0.75 HDAC1 (0.66) HDAC1
SCHEMBL6186624 0.73 CFTR (0.56) HDAC1HDAC4ALDH1A1GAASMN1; SMN2
SCHEMBL16132869 0.72 HDAC4 (1.00) HDAC1HDAC4ALDH1A1FFAR2
SCHEMBL12741574 0.72 CFTR (0.56) HDAC1HDAC4ALDH1A1GAASMN1; SMN2
SCHEMBL4003690 0.72 HDAC1 (0.53) HDAC1HDAC4ALDH1A1GAASMN1; SMN2
SCHEMBL6508074 0.71 HDAC1 (0.63) HDAC1HDAC4HDAC3HDAC7HDAC2

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 9 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
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
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 9/4885HDAC4 17/4885ALDH1A1 964/4885

“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.