SCHEMBL2095655

SCHEMBL2095655

[O]c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.44
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CES1 P23141 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
FFAR1 O14842 1/20 0.40
CYP2C9 P11712 1/20 0.40
SCN5A Q14524 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
CHRM5 P08912 2/20 0.39
KIF11 P52732 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PIM1 P11309 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL29894167 0.81 GPR3 (0.48) GPR3AKR1C2AKR1C1CES1MRGPRX4
SCHEMBL8065084 0.81 GPR3 (0.48) GPR3AKR1C2AKR1C1CES1MRGPRX4
SCHEMBL2097129 0.78 GPR3 (0.46) GPR3CES1FFAR4CYP2C9SCN5A
SCHEMBL8461833 0.78 GPR3 (0.46) GPR3AKR1C2AKR1C1CES1MRGPRX4
SCHEMBL10825618 0.78 MRGPRX4 (0.48) GPR3MRGPRX4FFAR4FFAR1CYP2C9
SCHEMBL28761504 0.77 GPR3 (0.42) GPR3AKR1C2AKR1C1CES1MRGPRX4
SCHEMBL9901975 0.77 AKR1C2 (0.47) AKR1C2AKR1C1MRGPRX4FFAR4FFAR1
SCHEMBL10153891 0.76 FFAR4 (0.49) GPR3AKR1C2AKR1C1FFAR4FFAR1
SCHEMBL2090160 0.76 GPR3 (0.44) GPR3AKR1C2AKR1C1CES1MRGPRX4
SCHEMBL1351195 0.76 CYP3A4 (0.45) GPR3AKR1C2AKR1C1CES1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0261459-A2 N-benzothiazolyl amides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-30 EP claimed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 EP claimed
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
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
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
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
US-6720344-B2 BINDING TO NUCLEAR RECEPTOR PROTEINS; STIMULATING BMP-2 PROMOTER ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-04-13 US disclosed
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants KERWIN SEAN M (US) 2003-06-26 US disclosed
EP-0572093-B1 Herbicidal 2,6-substituted pyridines SHELL INT RESEARCH (NL) 1999-04-14 EP disclosed
EP-0261459-A2 N-benzothiazolyl amides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-03-30 EP disclosed
EP-0093976-B1 2,4-DIHALOGENBENZOYL UREAS AND THIOUREAS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-09-10 EP disclosed
US-4523034-A Herbicidal diphenyl ethers, their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1985-06-11 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 (3 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 GPR3 80/4885AKR1C2 529/4885AKR1C1 412/4885
US-20030119791-A1 Methods and compositions for stimulating osteoblast proliferation or treating malignant cell proliferation and methods for selecting osteoblast proliferation stimulants MKI67, HGF, AREG GPR3 395/4885AKR1C2 665/4885AKR1C1 839/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 GPR3 563/4885AKR1C2 242/4885AKR1C1 226/4885

“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.