SCHEMBL753810

SCHEMBL753810

COC(=O)c1ccc(Cc2ccc(F)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
PARP1 P09874 1/20 0.51
P4HTM Q9NXG6 1/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM2 Q14416 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL11632984 0.86 MAPK1 (0.54) MAPK1PARP1P4HTMMAPTKDM4E
SCHEMBL11630275 0.86 MAPK1 (0.54) MAPK1PARP1P4HTMKDM4EL3MBTL1
SCHEMBL27686080 0.85 MAPT (0.49) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL4285254 0.85 MAPK1 (0.53) MAPK1PARP1KDM4EL3MBTL1LTA4H
SCHEMBL11635977 0.85 MAPK1 (0.53) MAPK1PARP1P4HTMMAPTKDM4E
SCHEMBL9938469 0.85 MAPK1 (0.50) MAPK1PARP1MAPTKDM4EL3MBTL1
SCHEMBL21384222 0.84 MAPK1 (0.49) MAPK1PARP1MAPTKDM4EL3MBTL1
SCHEMBL755141 0.83 MAPT (0.46) MAPK1MAPTKDM4EL3MBTL1MEN1
SCHEMBL21384012 0.83 PARP1 (0.45) MAPK1PARP1MAPTKDM4EL3MBTL1
SCHEMBL29614576 0.82 MAPK1 (0.65) MAPK1P4HTMMAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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 (3 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 MAPK1 3173/4885PARP1 463/4885P4HTM 2775/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK1 3073/4885PARP1 509/4885P4HTM 2766/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAPK1 3073/4885PARP1 509/4885P4HTM 2766/4885

“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.