SCHEMBL14842620

SCHEMBL14842620

O=C1NCCc2c1cc(O)c(O)c2Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.54
▸ PARP1 P09874 7/20 0.50
▸ PARP10 Q53GL7 6/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ PARP11 Q9NR21 5/20 0.39
▸ DRD1 P21728 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ RECQL P46063 4/20 0.39
▸ DRD2 P14416 3/20 0.39
▸ BLM P54132 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ THPO P40225 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL10129821 0.87 ACHE (0.50) ACHEPARP1PARP10F7F3
SCHEMBL30402278 0.87 ACHE (0.50) ACHEPARP1PARP10F7F3
SCHEMBL15680289 0.83 ACHE (0.38) ACHEPARP1DRD1KDM4ERECQL
SCHEMBL24136723 0.80 ACHE (0.54) ACHEPARP1PARP10PARP11
SCHEMBL31012419 0.80 ACHE (0.54) ACHEPARP1PARP10PARP11
SCHEMBL14854360 0.77 PARP10 (0.42) ACHEPARP1PARP10F7F3
SCHEMBL32669451 0.74 PARP10 (0.44) ACHEPARP1PARP10F7F3
SCHEMBL24681002 0.73 PARP10 (0.42) ACHEPARP1PARP10F7F3
SCHEMBL24136634 0.72 ACHE (0.43) ACHEPARP1PARP10F7F3
SCHEMBL15813912 0.71 PARP1 (0.44) ACHEPARP1PARP10F7F3

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
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
CN-104039152-A Antibacterial compounds GLAXO GROUP LTD 2014-09-10 — — CN disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 — — EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — 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 (1 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-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 ACHE 1724/4885PARP1 4430/4885PARP10 4143/4885

“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.

Send feedback