SCHEMBL17625645

SCHEMBL17625645

FC(F)(F)C1(c2ccc(CCCOCc3ccc(C4(C(F)(F)F)NN4)cc3)cc2)NN1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 4/20 0.36
HRH4 Q9H3N8 3/20 0.36
KCNH2 Q12809 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR1 P25103 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
GBA1 P04062 1/20 0.30
UGCG Q16739 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL17625660 0.92 PTPN2 (0.36) TDP1L3MBTL1HRH3HRH4PTPN2
SCHEMBL17625657 0.91 L3MBTL1 (0.37) TDP1L3MBTL1HRH3HRH4PTPN2
SCHEMBL17625648 0.91 PTPN2 (0.36) TDP1L3MBTL1KCNH2PTPN2PTPN1
SCHEMBL17625628 0.87 PTPN2 (0.41) PTPN2PTPN1PTPN6TACR1
SCHEMBL17625640 0.85 TSHR (0.37) PTPN2PTPN1PTPN6TACR1
SCHEMBL17625646 0.82 CA1 (0.31) KCNH2
SCHEMBL19407500 0.82 GBA1 (0.32) TDP1L3MBTL1HRH3HRH4PTPN2
SCHEMBL17600542 0.79 L3MBTL1 (0.38) TDP1L3MBTL1HRH3HRH4KCNH2
SCHEMBL19407496 0.78 ABCB1 (0.35) PTPN2PTPN1PTPN6
SCHEMBL19407558 0.76 MGAT2 (0.37) HRH3KCNH2MEN1KMT2A

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 TDP1 1943/4885L3MBTL1 4165/4885HRH3 3004/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX TDP1 3061/4885L3MBTL1 3341/4885HRH3 2966/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX TDP1 3061/4885L3MBTL1 3341/4885HRH3 2966/4885

“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.