SCHEMBL622651

SCHEMBL622651

COc1ccc2ncc(SCCO)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
F2 P00734 1/20 0.52
GLA P06280 1/20 0.52
EGFR P00533 3/20 0.51
PDGFRB P09619 3/20 0.49
PDGFRA P16234 3/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2E1 P05181 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPC1 O15118 3/20 0.40

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
SCHEMBL619687 0.79 KDM4E (0.46) ALDH1A1HPGDF2GLAEGFR
SCHEMBL622278 0.79 ALDH1A1 (0.51) ALDH1A1HPGDF2GLAEGFR
SCHEMBL7028923 0.76 ALDH1A1 (0.70) ALDH1A1HPGDF2GLAEGFR
SCHEMBL8882652 0.76 ALDH1A1 (0.57) ALDH1A1HPGDF2GLAEGFR
SCHEMBL621758 0.75 FGFR3 (0.45) ALDH1A1HPGDF2GLAEGFR
Ethane SCHEMBL27947703 0.75 ALDH1A1 (0.56) ALDH1A1HPGDF2GLAEGFR
SCHEMBL1741939 0.74 HPGDS (0.48) ALDH1A1HPGDF2GLAEGFR
SCHEMBL11406119 0.74 PDGFRB (0.55) ALDH1A1HPGDF2GLAEGFR
SCHEMBL9156972 0.73 ALDH1A1 (0.62) ALDH1A1HPGDF2GLAEGFR
SCHEMBL7207997 0.72 MTNR1A (0.57) ALDH1A1KDM4EMAPTNPC1MEN1

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.