SCHEMBL1893852

SCHEMBL1893852

O=C(NO)c1cc2cc(CNCCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)ccc2s1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.76
SLC2A1 P11166 1/20 0.59
BCHE P06276 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK1 P49759 1/20 0.46

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
SCHEMBL8292360 0.92 HDAC1 (0.65) HDAC1SLC2A1BCHESMN1; SMN2HTT
SCHEMBL1888083 0.87 HDAC1 (1.00) HDAC1CLK1
SCHEMBL1888929 0.83 HDAC1 (0.69) HDAC1SMN1; SMN2HTTKDM4ELMNA
SCHEMBL1885626 0.80 HDAC1 (0.87) HDAC1CLK1
SCHEMBL1890935 0.80 HDAC1 (1.00) HDAC1CLK1
SCHEMBL1892231 0.79 HDAC1 (0.85) HDAC1CLK1
SCHEMBL14449034 0.79 HDAC1 (0.83) HDAC1CLK1
SCHEMBL1886196 0.78 HDAC1 (1.00) HDAC1
SCHEMBL7279749 0.77 SLC2A1 (0.89) SLC2A1BCHESMN1; SMN2HTTKDM4E
SCHEMBL7279743 0.77 SLC2A1 (0.80) SLC2A1BCHESMN1; SMN2HTTKDM4E

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-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

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 9/4885SLC2A1 1900/4885BCHE 753/4885

“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.