SCHEMBL751999

SCHEMBL751999

CC(C)N1CC(c2nccc(OCc3ccccc3)n2)=C(O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.41
PKM P14618 1/20 0.37
IDH1 O75874 2/20 0.36
GRM5 P41594 3/20 0.36
TRPV3 Q8NET8 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGER1 P34995 1/20 0.34
P2RX3 P56373 1/20 0.34
MCHR1 Q99705 1/20 0.33
ACACB O00763 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
SCHEMBL754229 0.90 KDM4E (0.39) IDH1GRM5KDM5AKDM4CACACB
SCHEMBL755667 0.86 ALKBH1 (0.43) ALKBH1PKMGRM5KDM5AKDM4C
SCHEMBL756685 0.82 P2RX3 (0.38) IDH1GRM5KDM5AKDM4CP2RX3
SCHEMBL752783 0.79 ACACB (0.38) PKMGRM5TRPV3PTGER1MCHR1
SCHEMBL756359 0.75 LIPG (0.43) ALKBH1GRM5KDM5AKDM4CMCHR1
SCHEMBL755270 0.71 HRH3 (0.38) ALKBH1IDH1GRM5ACACB
SCHEMBL2488805 0.69 ALKBH1 (0.42) ALKBH1PKMGRM5TRPV3PTGER1
SCHEMBL754532 0.69 JAK2 (0.43) GRM5MCHR1ACACB
SCHEMBL7464319 0.68 PDE5A (0.50) ALKBH1PKMGRM5
SCHEMBL752035 0.67 BACE1 (0.39) IDH1GRM5P2RX3

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 163/4885PKM 3954/4885IDH1 126/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885PKM 3889/4885IDH1 147/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ALKBH1 143/4885PKM 3889/4885IDH1 147/4885

“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.