SCHEMBL14842265

SCHEMBL14842265

CCn1nc(C(N)=O)c(=O)c2cc(O)c(O)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ SRC P12931 2/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ EEF2K O00418 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL9319737 0.88 ALDH1A1 (0.66) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11012825 0.87 KDM4E (0.51) ALDH1A1KDM4ELMNATSHRBLM
Hydrochloric Acid SCHEMBL11012829 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL17193027 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL14845174 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11143530 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL17191900 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL15680418 0.80 ADORA2A (0.54) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL11153077 0.80 ALDH1A1 (0.81) ALDH1A1KDM4ELMNATSHRBLM
SCHEMBL14854366 0.79 ESR1 (0.44) ALDH1A1KDM4ELMNATSHRBLM

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 5 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
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 ALDH1A1 3841/4885KDM4E 3556/4885LMNA 3973/4885

“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.

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