SCHEMBL2097729

SCHEMBL2097729

Cc1ccc(NC(=O)N2CCC[N]CC2)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.74
NPC1 O15118 5/20 0.74
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KLK7 P49862 1/20 0.52
ALOX12 P18054 1/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL4559342 0.87 RAB9A (0.91) RAB9ANPC1HTTL3MBTL1SMN1; SMN2
SCHEMBL2096525 0.85 RAB9A (0.72) RAB9ANPC1HTTL3MBTL1SMN1; SMN2
SCHEMBL2093395 0.82 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2090923 0.81 L3MBTL1 (0.78) RAB9ANPC1HTTL3MBTL1SMN1; SMN2
SCHEMBL2091799 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2089614 0.79 LMNA (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2094189 0.78 SMN1; SMN2 (0.74) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL5431902 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL2089442 0.78 POLB (0.52) RAB9ANPC1HTTL3MBTL1TP53
SCHEMBL654852 0.76 ALDH1A1 (0.76) RAB9AL3MBTL1SMN1; SMN2MAPTALDH1A1

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 RAB9A 3153/4885NPC1 3130/4885HTT 4689/4885

“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.