SCHEMBL622278

SCHEMBL622278

COc1ccc2ncc(SCC=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
F2 P00734 1/20 0.51
GLA P06280 1/20 0.51
PDGFRB P09619 3/20 0.48
PDGFRA P16234 3/20 0.48
EGFR P00533 2/20 0.47
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL621708 0.80 PDGFRB (0.44) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL622651 0.79 ALDH1A1 (0.52) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL4732216 0.78 ALDH1A1 (0.57) ALDH1A1HPGDF2GLAPDGFRB
Ethane SCHEMBL27947699 0.77 ALDH1A1 (0.56) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL7028923 0.75 ALDH1A1 (0.70) ALDH1A1HPGDF2GLAPDGFRB
Butane SCHEMBL27931334 0.74 ALDH1A1 (0.54) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL1951997 0.73 MTNR1A (0.47) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL11406119 0.72 PDGFRB (0.55) ALDH1A1HPGDF2GLAPDGFRB
SCHEMBL911004 0.71 MTNR1A (0.52) CYP1A2CYP1A1CYP1B1
SCHEMBL434861 0.71 PDGFRB (0.59) ALDH1A1HPGDF2GLAPDGFRB

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 ALDH1A1 4235/4885HPGD 3555/4885F2 1640/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885HPGD 4450/4885F2 1443/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885HPGD 4450/4885F2 1443/4885

“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.