SCHEMBL2095672

SCHEMBL2095672

[CH2]OC(=O)Nc1cccc(C(C)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2095673 0.90 ALDH1A1 (0.50) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL14986223 0.87 HPGD (0.61) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2091351 0.86 FADS1 (0.54) MEN1KMT2AKDM4EHPGDALOX15
SCHEMBL10447844 0.85 IDO1 (0.46) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL7877793 0.83 RAB9A (0.57) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2098249 0.83 MEN1 (0.51) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2098251 0.83 MEN1 (0.51) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL21348786 0.82 POLB (0.59) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2091876 0.81 TSHR (0.62) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL2094011 0.80 ALDH1A1 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT

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 MEN1 4525/4885KMT2A 3324/4885HDAC4 577/4885

“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.