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SCHEMBL3545841

SCHEMBL3545841

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ SLC15A1 P46059 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GALR3 O60755 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA9 Q16790 7/20 0.40
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA12 O43570 6/20 0.40
▸ CA14 Q9ULX7 4/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3545846 1.00 ALDH1A1 (0.54) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL3547093 1.00 ALDH1A1 (0.54) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL8626734 0.91 SLC15A1 (0.49) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL3932951 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL7632914 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL7634776 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL7632905 0.90 ALDH1A1 (0.51) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL7801039 0.88 ALDH1A1 (0.49) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL7801037 0.88 ALDH1A1 (0.49) ALDH1A1SLC15A1LMNAMAPTTP53
SCHEMBL1764578 0.86 HDAC6 (0.58) ALDH1A1SLC15A1LMNAMAPTTP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010003744-A1 Therapeutic compounds CHAMBERLAIN STANLEY DAWES (US) 2001-06-14 — — US claimed
US-6077832-A FOR THERAPY AND PROPHYLAXIS OF HERPES VIRUS INFECTION GLAXO WELLCOME INC. (US) 2000-06-20 — — US claimed
EP-0769017-B1 THERAPEUTIC COMPOUNDS WELLCOME FOUND (GB) 2000-05-24 — — EP claimed
EP-0769017-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-23 — — EP claimed
WO-1996001833-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 — — WO claimed
US-7858773-B2 Process for preparing substituted benzimidazole compounds GLAXOSMITHKLINE LLC (US) 2010-12-28 — — US disclosed
US-20090187015-A1 Process For Preparing Substituted Benzimidazole Compounds GLAXOSMITHKLINE LLC 2009-07-23 — — US disclosed
US-7514568-B2 Process for preparing substituted benzimidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 — — US disclosed
US-20080188668-A1 PROCESS FOR PREPARING SUBSTITUTED BENZIMIDAZOLE COMPOUNDS GLAXOSMITHKLINE LLC 2008-08-07 — — US disclosed
US-7375235-B2 Process for preparing substituted benzimidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 — — US disclosed
US-7101994-B2 Process for preparing substituted benzimidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-05 — — US disclosed
US-20050261211-A1 Process for preparing substituted benzimidazole compounds GLAXOSMITHKLINE LLC 2005-11-24 — — 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-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 — — 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
US-5998605-A Antiviral benzimidazole nucleoside analogues and method for their preparation GLAXO WELLCOME INC. (US) 1999-12-07 — — US disclosed
EP-0769017-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1997-04-23 — — 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 (4 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-20080188668-A1 PROCESS FOR PREPARING SUBSTITUTED BENZIMIDAZOLE COMPOUNDS EIF2AK2, SAMHD1, ZC3HAV1 ALDH1A1 2405/4885SLC15A1 4698/4885LMNA 1805/4885
US-20050261211-A1 Process for preparing substituted benzimidazole compounds EIF2AK2, SAMHD1, ZC3HAV1 ALDH1A1 2405/4885SLC15A1 4698/4885LMNA 1805/4885
US-20010003744-A1 Therapeutic compounds ZC3HAV1, HAVCR2, EIF2AK2 ALDH1A1 269/4885SLC15A1 3489/4885LMNA 3592/4885
US-20090187015-A1 Process For Preparing Substituted Benzimidazole Compounds EIF2AK2, SAMHD1, ZC3HAV1 ALDH1A1 2405/4885SLC15A1 4698/4885LMNA 1805/4885

“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.