SCHEMBL1893620

SCHEMBL1893620

O=C(Nc1ccc(C(=O)NO)s1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.66
TP53 P04637 2/20 0.63
MAPT P10636 2/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HDAC1 Q13547 12/20 0.57
HDAC8 Q9BY41 8/20 0.57
HDAC6 Q9UBN7 8/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC3 O15379 3/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
IDO1 P14902 1/20 0.57

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
SCHEMBL28482288 0.88 RNASEH1 (0.68) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL1888278 0.82 HDAC1 (0.61) NPC1RAB9AHDAC1HDAC8HDAC6
SCHEMBL3093607 0.81 RNASEH1 (0.59) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL3950590 0.80 RNASEH1 (1.00) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL1885783 0.78 HDAC1 (0.55) RNASEH1MAPTNFKB1NFKB2RELA
SCHEMBL31110177 0.77 MAPT (1.00) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL28513667 0.77 RNASEH1 (0.55) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL11454295 0.76 CYP1A2 (0.68) RNASEH1TP53MAPTNFKB1NFKB2
SCHEMBL1890491 0.75 HDAC8 (0.64) MAPTSMN1; SMN2NPC1RAB9AHDAC1
Benzohydroxamate SCHEMBL133061 0.74 HDAC8 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO 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 RNASEH1 1730/4885TP53 1000/4885MAPT 1515/4885

“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.