SCHEMBL2089516

SCHEMBL2089516

[CH2]COc1cccc(N(CC)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 2/20 0.48
MEN1 O00255 1/20 0.48
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
APP P05067 1/20 0.40
TERT O14746 1/20 0.38
TP53 P04637 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
SCHEMBL7449633 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL1760671 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL9013844 0.85 ALDH1A1 (0.53) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL31339101 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL9116618 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL7451458 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL9810819 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL2091357 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL24534731 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4KDM4EKMT2ATHRB
SCHEMBL11243339 0.81 TSHR (0.50) ALDH1A1CYP3A4KDM4EKMT2ATHRB

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 ALDH1A1 412/4885CYP3A4 1734/4885KDM4E 4578/4885

“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.