SCHEMBL752853

SCHEMBL752853

CN1CC(c2cnc(Oc3ccccc3)cn2)=C(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 6/20 0.42
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
RXRB P28702 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ACACB O00763 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL754214 0.88 LIPG (0.45) LIPGRXRBHRH3ALDH1A1HTT
SCHEMBL753023 0.85 HRH3 (0.41) LIPGOXTRAVPR1ARXRBHRH3
SCHEMBL754428 0.84 LIPG (0.48) LIPGACACB
SCHEMBL752750 0.82 NPC1 (0.50) LIPGGPR84ALDH1A1NPC1RAB9A
SCHEMBL753739 0.81 LIPG (0.43) LIPGHRH3GPR84EGLN1KMT2A
SCHEMBL754703 0.79 LIPG (0.47) LIPGHRH3ALDH1A1EGLN1KMT2A
SCHEMBL2486824 0.74 HRH3 (0.43) LIPGRXRBHRH3ALDH1A1HTT
SCHEMBL752971 0.73 LIPG (0.49) LIPGHRH3ALDH1A1EGLN1
SCHEMBL754174 0.70 LIPG (0.46) LIPGHRH3ALDH1A1EGLN1KMT2A
SCHEMBL11381193 0.69 LIPG (0.47) LIPGKMT2A

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 20 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-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
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
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
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 (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 LIPG 3541/4885OXTR 3521/4885AVPR1A 3888/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885OXTR 3573/4885AVPR1A 3031/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885OXTR 3573/4885AVPR1A 3031/4885

“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.