SCHEMBL2090029

SCHEMBL2090029

[CH2]c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.57
▸ KMO O15229 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ SLC6A4 P31645 12/20 0.40
▸ HTR2A P28223 11/20 0.40
▸ KCNH2 Q12809 9/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ TTBK1 Q5TCY1 1/20 0.39
▸ TTBK2 Q6IQ55 1/20 0.39
▸ SOS1 Q07889 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
SCHEMBL21820786 0.86 HSP90AA1 (0.71) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL3294395 0.82 KMO (0.56) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL10614755 0.80 KMO (0.62) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL5540628 0.79 SLC6A4 (0.40) HSP90AA1MEN1KMT2ASLC6A4HTR2A
SCHEMBL10354980 0.78 HSP90AA1 (0.74) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL10354976 0.78 HSP90AA1 (0.57) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL11175966 0.78 HSP90AA1 (0.57) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL632533 0.78 MAOA (0.61) HSP90AA1KMOMEN1KMT2ASLC6A4
SCHEMBL12260895 0.78 HSP90AA1 (0.57) HSP90AA1KMOMEN1KMT2AHAO1
SCHEMBL257844 0.78 HSP90AA1 (0.57) HSP90AA1KMOMEN1KMT2AHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 — — US claimed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 — — US claimed
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 — — WO claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
US-6841661-B2 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERISITY (US) 2005-01-11 — — US disclosed
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 — — US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 — — US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 — — EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 — — EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 — — US disclosed
US-6498238-B1 Glycopeptide antibacterial compounds, compositions containing same and methods of using same PRINCETON UNIVERSITY 2002-12-24 — — US disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 — — US disclosed
WO-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 — — WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 — — EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 — — US 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 (3 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 HSP90AA1 1714/4885KMO 2191/4885MEN1 1692/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HSP90AA1 2576/4885KMO 3391/4885MEN1 4525/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS HSP90AA1 1321/4885KMO 2678/4885MEN1 1737/4885

“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.

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