SCHEMBL14844702

SCHEMBL14844702

COc1cc2c(c(Cl)c1OC)CCNC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PARP1 P09874 6/20 0.40
PARP10 Q53GL7 5/20 0.39
PARP11 Q9NR21 4/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GRM5 P41594 1/20 0.37
NQO2 P16083 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL23978726 0.87 PARP1 (0.41) NCOA1NCOA3PARP1PARP10PARP11
SCHEMBL30401909 0.87 PARP1 (0.41) NCOA1NCOA3PARP1PARP10PARP11
SCHEMBL14854352 0.79 DYRK1A (0.43) NCOA1NCOA3PARP1PARP10F7
SCHEMBL3967795 0.78 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTTUBB4A
SCHEMBL14845163 0.76 PARP1 (0.42) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL9741532 0.74 KDM4E (0.61) NCOA1NCOA3PARP1PARP10PARP11
SCHEMBL11184319 0.73 PARP1 (0.45) NCOA1NCOA3PARP1PARP10PARP11
SCHEMBL15814278 0.73 NCOA1 (0.43) NCOA1NCOA3PARP1PARP10PARP11
SCHEMBL4715588 0.71 PARP10 (0.53) PARP1PARP10PARP11F7F3
SCHEMBL30882012 0.71 PARP10 (0.53) PARP1PARP10PARP11F7F3

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 NCOA1 3323/4885NCOA3 4362/4885PARP1 4430/4885

“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.