SCHEMBL2089211

SCHEMBL2089211

Cc1ccc(N(C)C([O])=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.50
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 3/20 0.47
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL12550524 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL2089214 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL2069525 0.81 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL5932611 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL6631039 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL2095575 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ATSHRMAPT
SCHEMBL5932619 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL11046065 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1
SCHEMBL2095642 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL16937417 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ATSHRHSD17B1

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
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
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US 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
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP 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 (2 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR ALDH1A1 2071/4885SMN1; SMN2 3024/4885RAB9A 761/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885SMN1; SMN2 3787/4885RAB9A 3153/4885

“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.