SCHEMBL620716

SCHEMBL620716

O=Cc1cc2c(cc1Cl)SCCN2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
RYR2 Q92736 1/20 0.31
ERN1 O75460 1/20 0.30

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
SCHEMBL10226478 0.74 GAA (0.43) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL622384 0.72 ALDH1A1 (0.39) MEN1ALDH1A1GAAKMT2ATDP1
SCHEMBL621997 0.72 MAOA (0.45) ALDH1A1KMT2A
SCHEMBL3054155 0.71 ALDH1A1 (0.49) MEN1ALDH1A1GAAKMT2ATDP1
SCHEMBL616341 0.68 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL4438575 0.67 MEN1 (0.30) MEN1ALDH1A1GAAKMT2A
SCHEMBL3134002 0.66 TDP1 (0.59) MEN1ALDH1A1KMT2ATDP1ERN1
SCHEMBL9032903 0.66 MEN1 (0.55) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL15691802 0.65 MEN1 (0.48) MEN1ALDH1A1GAAKMT2ARYR2
SCHEMBL26908511 0.64 TDP1 (0.56) MEN1ALDH1A1KMT2ATDP1ERN1

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 MEN1 907/4885ALDH1A1 4235/4885GAA 4233/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MEN1 2968/4885ALDH1A1 4353/4885GAA 2813/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MEN1 2968/4885ALDH1A1 4353/4885GAA 2813/4885

“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.