SCHEMBL754178

SCHEMBL754178

CC(C)N1CC(c2ncnc(OCc3ccc(F)cc3)n2)=C(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 3/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 0.37
ACACB O00763 2/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 4/20 0.34
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL752082 0.87 LIPG (0.43) ALDH1A1CYP1A2TSHRCYP3A4USP2
SCHEMBL754229 0.84 KDM4E (0.39) TSHRACACBPOLBRECQLLIPG
SCHEMBL751868 0.82 ALKBH1 (0.43) POLBLIPGMAOBNPC1RAB9A
SCHEMBL754532 0.80 JAK2 (0.43) TSHRACACBPOLBRECQLLIPG
SCHEMBL754220 0.77 POLB (0.39) ALDH1A1CYP1A2TSHRCYP3A4USP2
SCHEMBL752929 0.76 CYP4F2 (0.44) POLBLIPGMAOBNPC1RAB9A
SCHEMBL749812 0.76 NPSR1 (0.33) ALDH1A1LIPGHPGDMEN1KMT2A
SCHEMBL754752 0.76 USP1 (0.36) ALDH1A1CYP3A4CYP2C9POLBLIPG
SCHEMBL751999 0.73 ALKBH1 (0.41) ACACBGRM5
SCHEMBL755033 0.72 CSNK1A1 (0.33) CSNK1A1CSNK1DCSNK1G2

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
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-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
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 ALDH1A1 658/4885CYP1A2 1120/4885TSHR 4237/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885CYP1A2 875/4885TSHR 3427/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALDH1A1 424/4885CYP1A2 875/4885TSHR 3427/4885

“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.