SCHEMBL1764581

SCHEMBL1764581

CC(=O)OC[C@H]1O[C@@H](n2c(NC(C)C)nc3cc(Cl)c(Cl)cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.58
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC15A1 P46059 1/20 0.41
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 6/20 0.39
CA14 Q9ULX7 6/20 0.39
PRKCA P17252 1/20 0.39
AKT1 P31749 1/20 0.39
PTK2 Q05397 1/20 0.39
GALR3 O60755 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL1764578 1.00 HDAC6 (0.58) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL27241012 1.00 HDAC6 (0.58) HDAC6LMNAALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL31273762 0.99 HDAC6 (0.57) HDAC6LMNAALDH1A1TP53MAPT
Hydrochloric Acid SCHEMBL27241013 0.99 HDAC6 (0.57) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7208094 0.92 HDAC6 (0.55) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7208090 0.92 HDAC6 (0.55) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7864610 0.91 HDAC6 (0.48) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7864607 0.91 HDAC6 (0.48) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7214248 0.91 HDAC6 (0.68) HDAC6LMNAALDH1A1TP53MAPT
SCHEMBL7215029 0.91 HDAC6 (0.60) HDAC6LMNAALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307043-B1 FOR TREATMENT OR PROPHYLAXIS OF HERPES VIRAL INFECTIONS GLAXO WELLCOME INC. 2001-10-23 US claimed
US-20180044366-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND GLAXOSMITHKLINE LLC (US) 2018-02-15 US disclosed
US-20170002035-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND GLAXOSMITHKLINE LLC (GB) 2017-01-05 US disclosed
US-20160030460-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND GLAXOSMITHKLINE LLC (GB) 2016-02-04 US disclosed
US-9163052-B2 Crystalline forms of an antiviral benzimidazole compound GLAXOSMITHKLINE LLC (US) 2015-10-20 US disclosed
US-20130261294-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound GLAXOSMITHKLINE LLC (US) 2013-10-03 US disclosed
US-20110118203-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound GLAXOSMITHKLINE LLC 2011-05-19 US disclosed
US-20100179101-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound GLOVER BOBBY NEAL 2010-07-15 US disclosed
US-7714123-B2 Crystalline forms of an antiviral benzimidazole compound GLAXOSMITHKLINE LLC (US) 2010-05-11 US disclosed
US-20080103186-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND GLAXOSMITHKLINE LLC 2008-05-01 US disclosed
EP-1071693-B1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
US-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 US disclosed
US-6482939-B1 Form vi 5,6-dichloro-2-(isopropylamino)-1-(β-l-ribofuranosyl)-1h-bezimimidazole SMITHKLINE BEECHAM CORPORATION 2002-11-19 US disclosed
US-6469160-B1 5,6-DICHLORO-2-(ISOPROPYLAMINO)-1-(BETA-L-RIBOFURANOSYL)-1H -BENZIMIDAZOLE (AKA 1263W94) OF GIVEN X-RAY DIFFRACTION PATTERN SMITHKLINE BEECHAM CORPORATION 2002-10-22 US disclosed
US-6307043-B1 FOR TREATMENT OR PROPHYLAXIS OF HERPES VIRAL INFECTIONS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-20010003744-A1 Therapeutic compounds CHAMBERLAIN STANLEY DAWES (US) 2001-06-14 US disclosed
US-6077832-A FOR THERAPY AND PROPHYLAXIS OF HERPES VIRUS INFECTION GLAXO WELLCOME INC. (US) 2000-06-20 US disclosed
EP-0769017-B1 THERAPEUTIC COMPOUNDS WELLCOME FOUND (GB) 2000-05-24 EP disclosed
WO-1996001833-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 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 (8 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-20100179101-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound EIF2AK2, ZC3HAV1, MAVS HDAC6 96/4885LMNA 2913/4885ALDH1A1 2300/4885
US-20110118203-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound EIF2AK2, ZC3HAV1, MAVS HDAC6 105/4885LMNA 2936/4885ALDH1A1 2608/4885
US-20080103186-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND EIF2AK2, ZC3HAV1, MAVS HDAC6 96/4885LMNA 2913/4885ALDH1A1 2300/4885
US-20130261294-A1 Novel Crystalline Forms Of An Antiviral Benzimidazole Compound EIF2AK2, ZC3HAV1, MAVS HDAC6 96/4885LMNA 2913/4885ALDH1A1 2300/4885
US-20180044366-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND EIF2AK2, ZC3HAV1, MAVS HDAC6 105/4885LMNA 2936/4885ALDH1A1 2608/4885
US-20170002035-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND EIF2AK2, ZC3HAV1, MAVS HDAC6 105/4885LMNA 2936/4885ALDH1A1 2608/4885
US-20160030460-A1 NOVEL CRYSTALLINE FORMS OF AN ANTIVIRAL BENZIMIDAZOLE COMPOUND EIF2AK2, ZC3HAV1, MAVS HDAC6 105/4885LMNA 2936/4885ALDH1A1 2608/4885
US-20010003744-A1 Therapeutic compounds ZC3HAV1, HAVCR2, EIF2AK2 HDAC6 78/4885LMNA 3592/4885ALDH1A1 269/4885

“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.