SCHEMBL621315

SCHEMBL621315

COc1ccc2ncc(SCCN3CCC(NS(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
HTR7 P34969 8/20 0.40
HTR1A P08908 5/20 0.39
DRD2 P14416 4/20 0.38
ADRA1D P25100 1/20 0.38
HTR6 P50406 3/20 0.37
NPY1R P25929 1/20 0.37
NPY5R Q15761 1/20 0.37
HTR2A P28223 2/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL1741916 0.89 KMT2A (0.38) KMT2AMEN1ADRA1AADRA1BHTR7
SCHEMBL620429 0.86 HTR2A (0.37) KMT2AMEN1HTR7HTR1ADRD2
SCHEMBL621994 0.79 FGFR1 (0.41) DRD2
SCHEMBL1740506 0.77 LMNA (0.34) KMT2AMEN1HTR2APKM
SCHEMBL620404 0.75 FGFR3 (0.47) DRD2
SCHEMBL620713 0.75 PIK3CA (0.43)
SCHEMBL621993 0.73 FGFR1 (0.39) HTR1ADRD2
SCHEMBL3707718 0.73 KMT2A (0.47) KMT2AMEN1
SCHEMBL621713 0.71 KCNH2 (0.46)
SCHEMBL13800056 0.71 KMT2A (0.68) KMT2AMEN1ADRA1AADRA1BDRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 US disclosed
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 KMT2A 3611/4885MEN1 907/4885ADRA1A 2710/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MEN1 2968/4885ADRA1A 2278/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH KMT2A 3261/4885MEN1 2968/4885ADRA1A 2278/4885

“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.