SCHEMBL2096463

SCHEMBL2096463

Cc1c(F)cccc1N(C)C([O])=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.53
HSD17B2 P37059 5/20 0.53
STS P08842 1/20 0.45
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HDAC4 P56524 1/20 0.36
RIPK1 Q13546 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
BCHE P06276 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL2096466 0.85 HSD17B1 (0.50) HSD17B1HSD17B2STSESR1ESR2
SCHEMBL2091484 0.83 CES2 (0.44) HSD17B1HSD17B2STSTDP1CES2
SCHEMBL2091486 0.82 DDB1 (0.47) HSD17B1HSD17B2TDP1CES2CES1
SCHEMBL2091852 0.78 HSD17B1 (0.45) HSD17B1HSD17B2STSSMN1; SMN2RIPK1
SCHEMBL5794697 0.78 HSD17B1 (0.44) HSD17B1HSD17B2STSESR1ESR2
SCHEMBL2089199 0.78 MAPT (0.41) SMN1; SMN2HDAC4MEN1KMT2AGPBAR1
SCHEMBL2091850 0.77 HSD17B1 (0.44) HSD17B1HSD17B2STSESR1ESR2
SCHEMBL14291898 0.77 HSD17B1 (0.44) HSD17B1HSD17B2STSESR1ESR2
SCHEMBL2095528 0.76 CES2 (0.43) HSD17B1HSD17B2STSESR1ESR2
SCHEMBL2095980 0.76 ESR1 (0.47) HSD17B1HSD17B2ESR1ESR2TDP1

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 3 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

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 HSD17B1 384/4885HSD17B2 314/4885STS 2368/4885

“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.