SCHEMBL755779

SCHEMBL755779

COc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)ccn(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL14848166 0.79 LIPG (0.78) LIPGTP53HTTLMNAGAA
SCHEMBL755373 0.75 CTSD (0.45) LIPGSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL14046287 0.74 SMN1; SMN2 (0.45) SMN1; SMN2HTTTDP1EGFRERBB2
SCHEMBL753326 0.73 LIPG (0.46) LIPGTP53HTTALDH1A1LMNA
SCHEMBL13255479 0.72 EGLN1 (0.47) SMN1; SMN2HTTKMT2AMEN1GAA
SCHEMBL753149 0.71 MEN1 (0.44) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL13255399 0.71 SMN1; SMN2 (0.42) SMN1; SMN2TP53HTTALDH1A1KMT2A
SCHEMBL13255388 0.71 SMN1; SMN2 (0.42) SMN1; SMN2HTTTDP1ALDH1A1EGFR
SCHEMBL13255457 0.71 SMN1; SMN2 (0.42) SMN1; SMN2HTTALDH1A1EGFRERBB2
SCHEMBL12266075 0.70 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAPLAUELANE

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 15 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-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 (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 3541/4885SMN1; SMN2 3953/4885TP53 1493/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885SMN1; SMN2 3746/4885TP53 948/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885SMN1; SMN2 3746/4885TP53 948/4885

“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.