SCHEMBL622688

SCHEMBL622688

COc1ccc2cc(C(=O)O)c(OCCC3CCC(NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGDS O60760 12/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 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
SCHEMBL622687 1.00 HPGD (0.46) HPGDKMT2AMEN1HPGDSHTT
SCHEMBL621760 0.94 HPGD (0.46) HPGDKMT2AMEN1HPGDSALDH1A1
SCHEMBL621761 0.94 HPGD (0.46) HPGDKMT2AMEN1HPGDSALDH1A1
SCHEMBL620682 0.84 HPGD (0.48) HPGDKMT2AMEN1HPGDSALDH1A1
SCHEMBL622790 0.80 HPGD (0.48) HPGDKMT2AMEN1HPGDSHTT
SCHEMBL15662527 0.76 HPGD (0.46) HPGDKMT2AMEN1HPGDSHTT
SCHEMBL620619 0.76 ALPL (0.48) HPGDKMT2AMEN1HPGDSALDH1A1
SCHEMBL621985 0.74 HPGD (0.48) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL622726 0.73 HPGD (0.45) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL620405 0.73 HPGD (0.47) HPGDKMT2AMEN1HPGDSALDH1A1

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 3555/4885KMT2A 3611/4885MEN1 907/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885KMT2A 3261/4885MEN1 2968/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGD 4450/4885KMT2A 3261/4885MEN1 2968/4885

“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.