SCHEMBL2092589

SCHEMBL2092589

CC(C[O])Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
LMNA P02545 2/20 0.42
GAA P10253 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.40
LTA4H P09960 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
CA4 P22748 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
SCHEMBL27629520 0.87 MTNR1A (0.51) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL2096009 0.84 MTNR1A (0.49) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL16254957 0.82 MTNR1A (0.55) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL9870637 0.81 MTNR1A (0.53) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL9870647 0.81 MTNR1A (0.53) MTNR1AMTNR1BLMNAGAACYP1A2
SCHEMBL1454240 0.80 MTNR1A (0.49) MTNR1AMTNR1BLMNAMAPTLTA4H
SCHEMBL257324 0.79 MTNR1A (0.52) MTNR1AMTNR1BLMNAMAPTLTA4H
SCHEMBL28121089 0.79 MTNR1A (0.52) MTNR1AMTNR1BLMNAMAPTLTA4H
SCHEMBL12550266 0.79 MTNR1A (0.52) MTNR1AMTNR1BLMNAMAPTLTA4H
Formaldehyde SCHEMBL27546899 0.78 MTNR1A (0.51) MTNR1AMTNR1BLMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731095-B1 4-Alkylthio-pyrimidin-5-ylacetic acid derivatives BAYER AG (DE) 2002-07-03 EP claimed
US-5776941-A FUNGICIDES SANDOZ LTD (CH) 1998-07-07 US 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0731095-B1 4-Alkylthio-pyrimidin-5-ylacetic acid derivatives BAYER AG (DE) 2002-07-03 EP disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5783580-A FUNGICIDES SANDOZ, LTD. (CH) 1998-07-21 US disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0731095-A1 4-Alkylthio-pyrimidin-5-ylacetic acid derivatives SANDOZ LTD. (CH) 1996-09-11 EP disclosed
US-5547919-A CONTROLLING PHYTOPATHOGENIC FUNGI SANDOZ LTD. (CH) 1996-08-20 US disclosed
EP-0667343-A1 Alpha-pyrimidinyl acrylic acid derivatives with fungicidal activity SANDOZ LTD. (CH) 1995-08-16 EP disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed
WO-1994022310-A1 HERBICIDES CONTAINING ONE OR SEVERAL HERBICIDAL ACTIVE SUBSTANCES FROM THE GROUP OF THE SALICYLIC ACID DERIVATES AND ONE OR SEVERAL ANTIDOTE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed
US-4188224-A (METH)ACRYLIC ESTERS AND AN ANTHRONE PHOTOINITIATOR CIBA-GEIGY CORPORATION (US) 1980-02-12 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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 MTNR1A 802/4885MTNR1B 707/4885LMNA 4594/4885

“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.