SCHEMBL754998

SCHEMBL754998

COCCNC(=O)c1cc(=O)c(O)c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)o1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 2/20 0.38
MMP3 P08254 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL755785 0.90 ALDH1A1 (0.39) KMT2AMEN1MAPTMMP3ALDH1A1
SCHEMBL753407 0.86 HTT (0.49) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL754737 0.83 ALDH1A1 (0.48) KMT2AMEN1MMP3ALDH1A1HPGD
Dimethylamine SCHEMBL752802 0.82 CNR2 (0.38) MAPTMMP3HTTALDH1A1POLB
SCHEMBL753335 0.81 CNR2 (0.38) KMT2AMMP3HTTALDH1A1POLB
SCHEMBL753088 0.81 POLB (0.38) MAPTMMP3ALDH1A1POLBLMNA
Methylamine SCHEMBL753441 0.80 CNR2 (0.38) MAPTMMP3ALDH1A1POLB
SCHEMBL752233 0.80 MAPT (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL751551 0.80 GAA (0.38) KMT2AMEN1MMP3HTTALDH1A1
SCHEMBL755559 0.79 MMP3 (0.47) KMT2AMEN1NPC1RAB9AMMP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT KMT2A 516/4885MEN1 4766/4885NPC1 1838/4885

“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.