SCHEMBL621760

SCHEMBL621760

COC(=O)c1cc2ccc(OC)cc2nc1OCC[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CS3)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGDS O60760 12/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 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
SCHEMBL621761 1.00 HPGD (0.46) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL622687 0.94 HPGD (0.46) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL622688 0.94 HPGD (0.46) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL620682 0.84 HPGD (0.48) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL622790 0.80 HPGD (0.48) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL15662527 0.78 HPGD (0.46) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL620619 0.77 ALPL (0.48) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL621985 0.74 HPGD (0.48) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL622726 0.73 HPGD (0.45) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL620405 0.73 HPGD (0.47) HPGDALDH1A1LMNAKMT2AMEN1

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 HPGD 3555/4885ALDH1A1 4235/4885LMNA 991/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885ALDH1A1 4353/4885LMNA 1116/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885ALDH1A1 4353/4885LMNA 1116/4885

“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.