SCHEMBL16624931

SCHEMBL16624931

C[C@]1(COc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.66
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.48
GAA P10253 5/20 0.41
ALPL P05186 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 5/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 6/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL19704647 1.00 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031088 0.92 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704657 0.92 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16624930 0.92 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704648 0.92 KCNH2 (0.65) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704646 0.91 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031090 0.91 KCNH2 (0.82) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL18031091 0.91 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL19704666 0.91 KCNH2 (0.82) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL14801643 0.90 KCNH2 (0.80) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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 7 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 claimed
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-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 3211/4885PTGS1 1195/4885SLC6A2 2185/4885

“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.