Sugi Predict

Sugi Predict / Compounds / SCHEMBL620429

SCHEMBL620429

SCHEMBL620429

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HTR1A P08908 4/20 0.36
▸ DRD2 P14416 4/20 0.36
▸ HTR7 P34969 4/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 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
SCHEMBL1740506 0.89 LMNA (0.34) HTR2AALDH1A1HTR2CGAAL3MBTL1
SCHEMBL621315 0.86 KMT2A (0.43) HTR2APKMHTR1ADRD2HTR7
SCHEMBL1741916 0.77 KMT2A (0.38) HTR2AALDH1A1MAPTPKMDRD2
SCHEMBL620404 0.74 FGFR3 (0.47) DRD2FGFR1FGFR2FGFR4FGFR3
SCHEMBL621994 0.73 FGFR1 (0.41) ALDH1A1GAADRD2FGFR1FGFR2
SCHEMBL621993 0.73 FGFR1 (0.39) HTR1ADRD2FGFR1FGFR2FGFR4
SCHEMBL3707718 0.72 KMT2A (0.47) ALDH1A1L3MBTL1MAPTKMT2ANPSR1
SCHEMBL622277 0.70 KCNH2 (0.46) HTR1A
SCHEMBL620713 0.69 PIK3CA (0.43) FGFR4
SCHEMBL15662658 0.68 FGFR3 (0.49) ALDH1A1DRD2NPSR1FGFR1FGFR2

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 HTR2A 3387/4885ALDH1A1 4235/4885HTR2C 1056/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTR2A 3813/4885ALDH1A1 4353/4885HTR2C 1641/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTR2A 3813/4885ALDH1A1 4353/4885HTR2C 1641/4885

“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.