SCHEMBL3174873

SCHEMBL3174873

CNc1cc(F)c(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12061613 0.81 ERN1 (0.31) ERN1
SCHEMBL5514290 0.81 HSD17B10 (0.34) KDM4EALDH1A1TSHRTDP1
SCHEMBL12051125 0.79 HCAR3 (0.42) ERN1KDM4EALDH1A1TDP1
SCHEMBL248719 0.78 ERN1 (0.50) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL9849607 0.76 MEN1 (0.32) TSHR
SCHEMBL30607215 0.76 MEN1 (0.32) TSHR
SCHEMBL29012715 0.74 ERN1 (0.37) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL150019 0.73 ERN1 (0.46) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL5514321 0.73 APP (0.31) —
SCHEMBL21639542 0.72 ERN1 (0.40) ERN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9023998-B2 Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing CARNEGIE MELLON UNIVERSITY (US) 2015-05-05 — — US disclosed
US-9023998-B2 Near infrared fluorogen and fluorescent activating proteins for in vivo imaging and live-cell biosensing CARNEGIE MELLON UNIVERSITY (US) 2015-05-05 — — US disclosed
US-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING CARNEGIE MELLON UNIVERSITY 2014-08-28 — — US disclosed
US-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING CARNEGIE MELLON UNIVERSITY 2014-08-28 — — US disclosed
US-8796277-B2 Radioprotector compounds and related methods PETER MACCALLUM CANCER INSTITUTE (AU) 2014-08-05 — — US 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
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 — — US 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

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-20140243509-A1 NEAR INFRARED FLUOROGEN AND FLUORESCENT ACTIVATING PROTEINS FOR IN VIVO IMAGING AND LIVE-CELL BIOSENSING FUCA1, TYR, HBG2 ERN1 3278/4885KDM4E 3374/4885ALDH1A1 1815/4885
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS RAD50, ERCC2, XRCC6 ERN1 1419/4885KDM4E 2584/4885ALDH1A1 905/4885

“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.

Send feedback