SCHEMBL2089558

SCHEMBL2089558

CCCCCOc1ccc(NC=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
NR5A1 Q13285 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FAAH O00519 11/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL7525725 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL2200288 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL8957605 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL7929814 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL19946498 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL10563396 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL5948127 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL7930488 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL2089958 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53
SCHEMBL19946505 0.98 NPC1 (0.58) NPC1RAB9ANR5A1FAAHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
EP-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed
WO-2019182942-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2019-09-26 WO 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NPC1 2404/4885RAB9A 2824/4885NR5A1 222/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NPC1 3130/4885RAB9A 3153/4885NR5A1 675/4885

“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.