SCHEMBL2095301

SCHEMBL2095301

CO[CH]c1nnnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 2/20 0.45
CCR6 P51684 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL8543350 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL27670951 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11500081 0.77 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2736476 0.74 LMNA (0.57) ALDH1A1SMN1; SMN2LMNANPSR1TSHR
SCHEMBL2721349 0.73 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL21708874 0.70 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL21708875 0.70 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL54976 0.70 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAGFERNPSR1
SCHEMBL2095302 0.69 PKM (0.69) ALDH1A1NPC1RAB9ALMNANPSR1
SCHEMBL11536760 0.69 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNANPSR1TSHR

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 412/4885KDM4E 4578/4885SMN1; SMN2 3787/4885

“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.