SCHEMBL2096005

SCHEMBL2096005

[CH2]Cc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
TACR1 P25103 3/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR7 P34969 1/20 0.39
MAOB P27338 1/20 0.39
DPP4 P27487 1/20 0.38
CHUK O15111 1/20 0.38
TXNRD1 Q16881 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
JAK2 O60674 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
SCHEMBL2095522 0.86 KIF11 (0.47) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL5198493 0.83 PDK2 (0.53) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL5511135 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL5199432 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL9295043 0.81 DPP4 (0.62) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL13675366 0.81 KIF11 (0.50) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL2092217 0.80 FFAR1 (0.43) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL17840160 0.80 KIF11 (0.68) KIF11ALDH1A1TSHRBACE1KDM4E
SCHEMBL18014699 0.79 KIF11 (0.47) KIF11TACR1FFAR1FFAR4ALDH1A1
SCHEMBL27682131 0.79 KIF11 (0.47) KIF11TACR1FFAR1FFAR4ALDH1A1

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 5 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
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

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 KIF11 3992/4885TACR1 610/4885FFAR1 58/4885

“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.