SCHEMBL751868

SCHEMBL751868

CC(C)N1CC(c2ncc(OCc3ccc(F)cc3)cn2)=C(O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.43
MAOB P27338 5/20 0.41
NR4A2 P43354 2/20 0.39
PARP10 Q53GL7 1/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GRM5 P41594 1/20 0.36
MMP13 P45452 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR1 O14842 1/20 0.35
HPD P32754 1/20 0.35

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
SCHEMBL752929 0.87 CYP4F2 (0.44) ALKBH1MAOBNR4A2PARP10MAOA
SCHEMBL749812 0.85 NPSR1 (0.33) LIPGHRH3
SCHEMBL757191 0.85 HRH3 (0.40) LIPGHRH3
SCHEMBL754752 0.85 USP1 (0.36) LIPGPOLBHRH3
SCHEMBL754370 0.85 LIPG (0.47) ALKBH1MAOBNR4A2PARP10MAOA
SCHEMBL754178 0.82 ALDH1A1 (0.37) MAOBNR4A2PARP10MAOANPC1
SCHEMBL754229 0.82 KDM4E (0.39) MAOBNR4A2GRM5LIPGPOLB
SCHEMBL754532 0.78 JAK2 (0.43) MAOBMAOAGRM5LIPGPOLB
SCHEMBL755270 0.76 HRH3 (0.38) ALKBH1GRM5MMP13LIPGHRH3
SCHEMBL756168 0.76 IDH1 (0.38) LIPGHRH3

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 ALKBH1 163/4885MAOB 709/4885NR4A2 907/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885MAOB 900/4885NR4A2 949/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885MAOB 900/4885NR4A2 949/4885

“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.