SCHEMBL1885802

SCHEMBL1885802

COc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
NR1H4 Q96RI1 1/20 0.59
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
PPARG P37231 1/20 0.56
RAB9A P51151 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL1885050 0.87 HDAC1 (0.76) HDAC1NR1H4KDM4ERAB9AKMT2A
SCHEMBL1883965 0.84 HDAC1 (0.72) HDAC1LMNARAB9AKMT2AMEN1
SCHEMBL1889752 0.83 HDAC1 (0.78) HDAC1KDM4EMAPTNCOR2ALDH1A1
SCHEMBL1883760 0.83 HDAC1 (0.67) HDAC1LMNAKDM4ERAB9AALDH1A1
SCHEMBL1886161 0.81 HDAC1 (0.67) HDAC1MAPTRAB9AKMT2AMEN1
SCHEMBL1884493 0.81 HDAC1 (0.78) HDAC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1885089 0.80 HDAC1 (1.00) HDAC1
SCHEMBL12663199 0.78 HDAC1 (0.78) HDAC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8291123 0.78 HDAC1 (1.00) HDAC1
SCHEMBL8291127 0.78 HDAC1 (1.00) HDAC1NR1H4RAB9AKMT2AMEN1

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 9/4885NR1H4 2166/4885LMNA 4540/4885

“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.