SCHEMBL1886192

SCHEMBL1886192

O=C(CN1CCCCC1)Nc1ccc2cc(C(=O)NO)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.60
TERT O14746 1/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 3/20 0.53
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.51
GLA P06280 1/20 0.51
MGLL Q99685 1/20 0.49

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
SCHEMBL5808215 0.91 HDAC1 (0.60) HDAC1TERTPOLBKDM4EALDH1A1
SCHEMBL8252441 0.89 HDAC1 (0.61) HDAC1TERTPOLBKDM4EALDH1A1
SCHEMBL3975883 0.89 HDAC1 (0.57) HDAC1TERT
SCHEMBL1892705 0.89 HDAC1 (0.57) HDAC1POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL1885843 0.87 HDAC1 (0.55) HDAC1TERTKDM4EALDH1A1HTT
SCHEMBL1882719 0.85 HDAC1 (0.62) HDAC1POLBSMN1; SMN2HTT
SCHEMBL3576763 0.83 HDAC1 (0.49) HDAC1TERTPOLBKDM4EALDH1A1
SCHEMBL1888509 0.83 ALDH1A1 (0.61) HDAC1KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL1888099 0.83 DRD2 (0.58) HDAC1POLBKDM4EALDH1A1TDP1
SCHEMBL1890712 0.82 HDAC1 (0.56) HDAC1KDM4EALDH1A1SMN1; SMN2HTT

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 9/4885TERT 677/4885POLB 3618/4885

“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.