SCHEMBL622680

SCHEMBL622680

c1cnc2cc(OCCC3OCCCO3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 3/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33

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
SCHEMBL13092734 0.77 ALDH2 (0.46) ALDH2MAOAMAOBHTTMAPT
SCHEMBL8810213 0.74 NFE2L2 (0.57) ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL13645865 0.74 KDM4E (0.45) ALDH2MAOAMAOBKMT2AMEN1
SCHEMBL18320474 0.73 ACACB (0.45) ALDH2MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL13645796 0.72 L3MBTL1 (0.49) ALDH2MAOAMAOBKMT2AMEN1
SCHEMBL8845184 0.72 CHRNB2 (0.45) ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL622404 0.72 PDE3B (0.48) HTTSLC22A12MAPTALDH1A1KMT2A
SCHEMBL18320646 0.71 ALDH2 (0.45) ALDH2MAOAMAOBKDRALDH1A1
SCHEMBL3170367 0.71 ALDH2 (0.41) ALDH2MAOAMAOBHTTEPHA2
SCHEMBL8844957 0.71 ALDH1A1 (0.47) ALDH2MAOAMAOBMAPTALDH1A1

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 6 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

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 ALDH2 4717/4885MAOA 2015/4885MAOB 1783/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH2 4776/4885MAOA 2662/4885MAOB 2210/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH2 4776/4885MAOA 2662/4885MAOB 2210/4885

“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.