SCHEMBL2089916

SCHEMBL2089916

CCC(C)Oc1ccc(NC([O])=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
ALDH1A1 P00352 6/20 0.47
ACACB O00763 2/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 2/20 0.46
NLRP1 Q9C000 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPY5R Q15761 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2093372 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTTP53MEN1
SCHEMBL2090591 0.83 ALDH1A1 (0.48) GLAALDH1A1ACACBKMT2AMAPT
SCHEMBL2091569 0.82 GLA (0.71) GLAALDH1A1KMT2AMAPTNLRP1
SCHEMBL122883 0.78 ACACB (0.45) ACACBKMT2AMAPTPOLBMTNR1A
SCHEMBL10068897 0.77 CA2 (0.64) KMT2AMEN1
SCHEMBL20969648 0.77 P2RX3 (0.45) GLAALDH1A1ACACBKMT2AMAPT
SCHEMBL9856346 0.77 SMN1; SMN2 (0.49) ALDH1A1ACACBKMT2AMAPTLMNA
SCHEMBL11440779 0.76 CNR2 (0.44) GLAALDH1A1ACACBKMT2AMAPT
SCHEMBL4686240 0.75 SMN1; SMN2 (0.61) ACACBKMT2AMAPTMEN1GAA
SCHEMBL9855917 0.75 MAPT (0.57) ACACBKMT2AMAPTLMNAMEN1

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 GLA 4138/4885ALDH1A1 412/4885ACACB 881/4885

“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.