SCHEMBL17625657

SCHEMBL17625657

FC(F)(F)C1(c2ccc(COCCCCCOCc3ccc(C4(C(F)(F)F)NN4)cc3)cc2)NN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
UGCG Q16739 10/20 0.36
GBA2 Q9HCG7 10/20 0.36
GBA1 P04062 9/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
TACR1 P25103 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SI P14410 3/20 0.31
LCT P09848 2/20 0.31
MGAM O43451 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL17625660 0.95 PTPN2 (0.36) L3MBTL1TDP1UGCGGBA2GBA1
SCHEMBL17625645 0.91 TDP1 (0.38) L3MBTL1TDP1UGCGGBA2GBA1
SCHEMBL19407500 0.90 GBA1 (0.32) L3MBTL1TDP1UGCGGBA2GBA1
SCHEMBL17625628 0.90 PTPN2 (0.41) PTPN2PTPN1PTPN6TACR1ALDH1A1
SCHEMBL17625640 0.88 TSHR (0.37) PTPN2PTPN1PTPN6TACR1ALDH1A1
SCHEMBL17625648 0.87 PTPN2 (0.36) L3MBTL1TDP1PTPN2PTPN1PTPN6
SCHEMBL19407496 0.81 ABCB1 (0.35) PTPN2PTPN1PTPN6
SCHEMBL17625646 0.78 CA1 (0.31)
SCHEMBL17642475 0.77 TDP1 (0.37) L3MBTL1TDP1UGCGGBA2GBA1
SCHEMBL17625653 0.77 ALDH1A1 (0.35) PTPN2PTPN1PTPN6TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693072-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2020-06-23 US disclosed
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20190157558-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2019-05-23 US disclosed
US-10256409-B2 Diazirine containing organic electronic compositions and device thereof PROMERUS, LLC (US) 2019-04-09 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20170279048-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2017-09-28 US disclosed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 US 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 L3MBTL1 4165/4885TDP1 1943/4885UGCG 3834/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX L3MBTL1 3341/4885TDP1 3061/4885UGCG 4526/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX L3MBTL1 3341/4885TDP1 3061/4885UGCG 4526/4885

“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.