SCHEMBL754405

SCHEMBL754405

CCOC(=O)/C(O)=C/C(=O)c1nc(Cc2ccc(F)cc2)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
CES2 O00748 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
ALOX12 P18054 1/20 0.36
CCR6 P51684 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 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
SCHEMBL754406 1.00 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL751977 0.80 MAPT (0.41) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL751978 0.80 MAPT (0.41) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL753920 0.78 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL753919 0.78 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL27588452 0.76 NPSR1 (0.40) MAPTKMT2ANPSR1LMNAKDM4E
SCHEMBL754504 0.75 NPSR1 (0.42) MAPTKMT2ANPSR1LMNAHPGD
SCHEMBL28977277 0.74 MAPT (0.53) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL751223 0.72 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL751224 0.72 MAPT (0.40) MAPTMEN1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885MEN1 4775/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPT 4426/4885MEN1 4775/4885KMT2A 667/4885

“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.