SCHEMBL18011983

SCHEMBL18011983

CCC1CN(S(=O)(=O)c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)CCN1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.55
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 2/20 0.36
ADAM17 P78536 5/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 2/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6010779 0.87 PTGS1 (0.58) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL6010769 0.87 PTGS1 (0.58) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL6010805 0.86 KCNH2 (0.56) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624970 0.83 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16618216 0.82 KCNH2 (0.68) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16618227 0.82 KCNH2 (0.67) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624975 0.81 KCNH2 (0.57) KCNH2PTGS1SLC6A2SLC6A4KMT2A
SCHEMBL16618213 0.81 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624971 0.81 KCNH2 (0.61) KCNH2PTGS1SLC6A2SLC6A4MEN1
SCHEMBL16624938 0.79 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4MEN1

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-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-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

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.