SCHEMBL16624970

SCHEMBL16624970

CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42

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
SCHEMBL16624975 0.88 KCNH2 (0.57) KCNH2SMN1; SMN2PKMPTGS1SLC6A2
SCHEMBL16618216 0.88 KCNH2 (0.68) KCNH2SMN1; SMN2PTGS1SLC6A2SLC6A4
SCHEMBL6010800 0.88 KCNH2 (0.63) KCNH2SMN1; SMN2PKMPTGS1SLC6A2
SCHEMBL6010760 0.88 PTGS1 (0.63) KCNH2SMN1; SMN2PTGS1SLC6A2SLC6A4
SCHEMBL16618227 0.87 KCNH2 (0.67) KCNH2SMN1; SMN2PTGS1SLC6A2SLC6A4
SCHEMBL16618213 0.87 KCNH2 (0.66) KCNH2SMN1; SMN2PTGS1SLC6A2SLC6A4
SCHEMBL16624971 0.85 KCNH2 (0.61) KCNH2SMN1; SMN2PKMPTGS1SLC6A2
SCHEMBL16618226 0.83 PTGS1 (0.62) KCNH2SMN1; SMN2PKMPTGS1SLC6A2
SCHEMBL18011983 0.83 KCNH2 (0.55) KCNH2SMN1; SMN2PKMPTGS1SLC6A2
SCHEMBL16624938 0.82 KCNH2 (0.59) KCNH2SMN1; SMN2PTGS1SLC6A2SLC6A4

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-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US disclosed
US-9845330-B2 6-nitro-2,3-dihydroimidazo[2,1-b]oxazoles and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-19 US disclosed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US disclosed
US-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-25 US disclosed
WO-2015049693-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-09 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-20160244462-A1 6-NITRO-2,3-DIHYDROIMIDAZO[2,1-b]OXAZOLES AND A PROCESS FOR THE PREPARATION THEREOF XDH, DHFR, G6PD KCNH2 3211/4885SMN1; SMN2 3078/4885PKM 1135/4885

“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.