SCHEMBL2098249

SCHEMBL2098249

CCC(C)c1cccc(NC([O])=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
FADS1 O60427 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2098251 0.87 MEN1 (0.51) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL7877793 0.87 RAB9A (0.57) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL21348786 0.86 POLB (0.59) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2095673 0.84 ALDH1A1 (0.50) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL14986226 0.83 CA2 (0.58) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2095672 0.83 MEN1 (0.48) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL2096083 0.83 FADS1 (0.59) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL4981820 0.82 HDAC4 (0.49) MEN1KMT2AHDAC4HDAC2HDAC8
SCHEMBL14986223 0.82 HPGD (0.61) MEN1KMT2AHDAC4HDAC2HDAC8
Bromide SCHEMBL5452567 0.81 HDAC4 (0.47) MEN1KMT2AHDAC4HDAC2HDAC8

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.