Sugi Predict

Sugi Predict / Compounds / SCHEMBL825091

SCHEMBL825091

SCHEMBL825091

C=Cc1cc(OC)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.43
▸ CYP1A1 P04798 6/20 0.42
▸ CYP1B1 Q16678 6/20 0.42
▸ CYP1A2 P05177 6/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ TRIM24 O15164 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL25307498 0.82 MAOB (0.50) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL29030351 0.82 CYP1A2 (0.46) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL9065566 0.81 CYP1A2 (0.52) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL30567454 0.81 CYP1A2 (0.52) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL2605834 0.80 BACE1 (0.34) HDAC3HDAC1HDAC2ALDH1A1MEN1
SCHEMBL584683 0.80 ERN1 (0.61) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL16310074 0.79 NQO1 (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL16310073 0.78 CYP3A4 (0.48) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
SCHEMBL15793083 0.78 CYP3A4 (0.48) ERN1CYP1A1CYP1B1CYP1A2NFE2L2
Bromide SCHEMBL27667716 0.78 ERN1 (0.59) ERN1CYP1A1CYP1B1CYP1A2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382279-B2 Copper catalyzed halogenaton and reaction products WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-05 — — US disclosed
US-20140371480-A1 COPPER CATALYZED HALOGENATON AND REACTION PRODUCTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2014-12-18 — — US disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 — — US disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 — — US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 — — US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 — — US disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 — — US disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 — — US disclosed
EP-2401280-B1 Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-05-01 — — EP disclosed
US-8143244-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 — — EP disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 — — US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 — — WO disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 — — WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 — — WO disclosed
WO-2003064501-A1 CONFORMATIONALLY RESTRICTED COMPOUNDS AS DENDRIMER CORES SLEMON CLARKE (CA) 2003-08-07 — — 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 (7 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP ERN1 1747/4885CYP1A1 3647/4885CYP1B1 3587/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP ERN1 1879/4885CYP1A1 3041/4885CYP1B1 2982/4885
US-20140371480-A1 COPPER CATALYZED HALOGENATON AND REACTION PRODUCTS AOC3, AOC2, BAZ2A ERN1 368/4885CYP1A1 155/4885CYP1B1 82/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS ERN1 1240/4885CYP1A1 224/4885CYP1B1 11/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR ERN1 3097/4885CYP1A1 3304/4885CYP1B1 3796/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS ERN1 1240/4885CYP1A1 224/4885CYP1B1 11/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS ERN1 1240/4885CYP1A1 224/4885CYP1B1 11/4885

“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.