SCHEMBL3176178

SCHEMBL3176178

CN(C)c1ccc(F)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
ERN1 O75460 7/20 0.42
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
APP P05067 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAT2A P31153 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3186075 0.84 CYP2A6 (0.47) CYP2A6CYP2A13ERN1ALDH1A1TSHR
SCHEMBL30882789 0.84 CYP2A6 (0.47) CYP2A6CYP2A13ERN1ALDH1A1TSHR
SCHEMBL8964348 0.78 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10
SCHEMBL9756582 0.76 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10
SCHEMBL4401250 0.76 ERN1 (0.52) CYP2A6CYP2A13ERN1
SCHEMBL29954002 0.76 ERN1 (0.52) CYP2A6CYP2A13ERN1
SCHEMBL27994638 0.74 CYP2A6 (0.45) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10
SCHEMBL14741400 0.74 CYP2A6 (0.45) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10
SCHEMBL143348 0.73 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10
SCHEMBL7671562 0.73 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605763-B Radioprotector compounds and methods involving PETER MACCALLUM CANCER INSTITUTE (AU) 2016-03-09 CN disclosed
EP-2114896-B1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INST (AU) 2015-07-22 EP disclosed
EP-2114896-B1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INST (AU) 2015-07-22 EP disclosed
US-8796277-B2 Radioprotector compounds and related methods PETER MACCALLUM CANCER INSTITUTE (AU) 2014-08-05 US disclosed
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 US disclosed
CN-101605763-A Radioprotector compounds and methods involving PETER MACCALLUM CANCER INST (AU) 2009-12-16 CN disclosed
EP-2114896-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS Peter MacCallum Cancer Institute (AU) 2009-11-11 EP disclosed
WO-2008074091-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2008-06-26 WO disclosed
WO-2008074091-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2008-06-26 WO 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 (1 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-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS RAD50, ERCC2, XRCC6 CYP2A6 2292/4885CYP2A13 3527/4885ERN1 1419/4885

“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.