SCHEMBL754657

SCHEMBL754657

COC(=O)c1cnc(C)c(OC)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 6/20 0.38
POLB P06746 2/20 0.38
GAA P10253 3/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ABL1 P00519 1/20 0.36
NR3C1 P04150 1/20 0.36
GLA P06280 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL192118 0.87 MAPT (0.40) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL2483707 0.85 KDM4E (0.49) MAPTKMT2AKDM4EHPGDALDH1A1
SCHEMBL31923 0.84 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL754676 0.84 KDM4E (0.41) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL2649515 0.80 MAPT (0.40) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL2650690 0.80 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL3554940 0.79 KDM4E (0.46) MAPTNPC1L3MBTL1KMT2AKDM4E
SCHEMBL3560430 0.79 KDM4E (0.46) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL1341382 0.76 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL28041813 0.75 KDM4E (0.41) SMN1; SMN2MAPTNPC1RAB9ANFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885MAPT 4426/4885NPC1 2338/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885MAPT 4426/4885NPC1 2338/4885

“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.