Sugi Predict

Sugi Predict / Compounds / SCHEMBL5543809

SCHEMBL5543809

SCHEMBL5543809

[CH2]c1ccc(-c2cccc(OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.58
▸ ABCB1 P08183 2/20 0.58
▸ BCR P11274 2/20 0.58
▸ MAOB P27338 2/20 0.57
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2E1 P05181 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP4B1 P13584 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ CYP3A5 P20815 1/20 0.55
▸ CYP2A7 P20853 1/20 0.55
▸ CYP3A7 P24462 1/20 0.55
▸ CYP2F1 P24903 1/20 0.55
▸ CYP2C18 P33260 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL1180343 0.89 ABL1 (0.69) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL4475475 0.86 CYP3A4 (0.57) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL13247865 0.85 ABL1 (0.64) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL792197 0.85 ABL1 (0.77) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL1180412 0.85 ABL1 (0.77) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL29489425 0.85 CYP3A4 (0.73) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL196765 0.85 CYP3A4 (0.73) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL1181204 0.83 ABL1 (0.81) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL29740761 0.83 CYP1A1 (0.64) ABL1ABCB1BCRMAOBCYP1A1
SCHEMBL458391 0.83 CYP1A1 (0.64) ABL1ABCB1BCRMAOBCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104607251-B Frame compound catalyst material containing mixed valence Cu and preparation method thereof 洛阳师范学院 2017-01-25 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 — — CN 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ABL1 2364/4885ABCB1 2408/4885BCR 616/4885

“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.