SCHEMBL2090855

SCHEMBL2090855

[CH2]c1cccc(-c2ccc(Br)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.43
FEN1 P39748 2/20 0.43
NMUR2 Q9GZQ4 1/20 0.35
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
AKR1C3 P42330 5/20 0.33
AKR1C2 P52895 5/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
DGAT1 O75907 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP2 O95551 1/20 0.32
PTPRC P08575 2/20 0.32

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
SCHEMBL10269901 0.81 ALOX5AP (0.45) ALOX5APFEN1NMUR2KDM1AKDM1B
SCHEMBL27629420 0.79 ALOX5AP (0.46) ALOX5APFEN1NMUR2KDM1AKDM1B
SCHEMBL538592 0.79 ALDH1A1 (0.46) ALOX5APFEN1NMUR2MMP1MMP2
SCHEMBL5540460 0.77 PTPRC (0.47) ALOX5APFEN1PTPRCPTPN1
SCHEMBL10799367 0.77 PTGS1 (0.45) ALOX5APFEN1NMUR2MMP1MMP2
SCHEMBL27629312 0.74 GABRG2 (0.43) TDP2
SCHEMBL8965191 0.74 CNR1 (0.44) ALOX5APFEN1TDP2
SCHEMBL30753844 0.74 CNR1 (0.44) ALOX5APFEN1TDP2
SCHEMBL14520998 0.73 DGAT1 (0.46) ALOX5APFEN1NMUR2KDM1AKDM1B
SCHEMBL31310573 0.73 DGAT1 (0.46) ALOX5APFEN1NMUR2KDM1AKDM1B

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
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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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

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 ALOX5AP 3526/4885FEN1 3521/4885NMUR2 521/4885

“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.