SCHEMBL3186339

SCHEMBL3186339

CN(C)c1ccc(C=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP2A13 Q16696 1/20 0.47
ALDH1A1 P00352 7/20 0.43
ALDH1A3 P47895 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH3A1 P30838 5/20 0.41
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
APP P05067 3/20 0.37
KIF11 P52732 1/20 0.36
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PTGER4 P35408 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
SCHEMBL20529121 0.84 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3SMN1; SMN2
SCHEMBL27694001 0.81 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL29084291 0.80 ALDH1A3 (0.41) CYP2A6CYP2A13ALDH1A1ALDH1A3SMN1; SMN2
SCHEMBL7995434 0.79 ALDH1A3 (0.65) CYP2A6CYP2A13ALDH1A1ALDH1A3SMN1; SMN2
SCHEMBL30893368 0.78 ALDH1A3 (0.49) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL5685311 0.78 ALDH1A3 (0.49) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL31299760 0.78 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL6814384 0.78 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL1874194 0.77 ALDH1A1 (0.40) ALDH1A1ALDH1A3SMN1; SMN2ALDH3A1TSHR
SCHEMBL8403813 0.76 APP (0.62) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
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
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-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 US disclosed
CN-100577663-C Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO 2010-01-06 CN 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

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

For each of this compound's patents that has machine-readable text (4 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 CYP2A6 1025/4885CYP2A13 893/4885ALDH1A1 1815/4885
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS RAD50, ERCC2, XRCC6 CYP2A6 2292/4885CYP2A13 3527/4885ALDH1A1 905/4885
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT CYP2A6 4167/4885CYP2A13 4292/4885ALDH1A1 1121/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT CYP2A6 4399/4885CYP2A13 4479/4885ALDH1A1 1382/4885

“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.