SCHEMBL5539632

SCHEMBL5539632

O=[C]OCCSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 1/20 0.56
FFAR1 O14842 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
RECQL P46063 1/20 0.41
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
USP2 O75604 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
SCHEMBL5543126 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL5543712 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL5544648 0.85 HDAC1 (0.49) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL5536599 0.85 HDAC1 (0.49) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL22748818 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL5540726 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL6513573 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1NPC1RAB9ACYP1A2
SCHEMBL6841220 0.76 HRH3 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4KMT2A
SCHEMBL16586149 0.75 ALDH1A1 (0.70) ALDH1A1MAPK1FFAR1NPC1RAB9A
SCHEMBL9451913 0.74 ALDH1A1 (0.61) ALDH1A1MAPK1FFAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435432-B3 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE IRELAND UNLIMITED CO (BM) 2023-10-25 EP 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
US-4505913-A Substituted anthranilamides and pharmaceutical preparations containing these compounds CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
EP-0008072-B1 SUBSTITUTED ANTHRANILIC ACID AMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
EP-0008072-A1 Substituted anthranilic acid amides, process for their preparation, pharmaceutical compositions containing them and their preparation CIBA-GEIGY AG (CH) 1980-02-20 EP 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 ALDH1A1 355/4885MAPK1 1392/4885FFAR1 105/4885

“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.