SCHEMBL17625635

SCHEMBL17625635

FC(F)(F)C1(c2ccc(Oc3cc(Oc4ccc(C5(C(F)(F)F)NN5)cc4)cc(Oc4ccc(C5(C(F)(F)F)NN5)cc4)c3)cc2)NN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.35
PDK2 Q15119 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MITF O75030 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
NLRP1 Q9C000 1/20 0.31
NOD2 Q9HC29 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
SCHEMBL17625664 0.89 MAOA (0.39) PDK2MEN1KMT2ARAB9AGAA
SCHEMBL17625669 0.87 MAOA (0.38) PDK2MEN1KMT2ARAB9AGAA
SCHEMBL17642439 0.78 KIF11 (0.33) PDK2RAB9A
SCHEMBL17625665 0.77 ALDH1A1 (0.35) PDK2ALDH1A1F2
SCHEMBL20355847 0.75 TSHR (0.36)
SCHEMBL17625667 0.74 HTT (0.44) PDK2MEN1KMT2ANPC1RAB9A
SCHEMBL17629727 0.73 KIF11 (0.41) ST14PDK2MEN1KMT2ANPC1
SCHEMBL17625661 0.73 PTPRZ1 (0.49) MMP2MMP13PTPN1
SCHEMBL20355879 0.72 ALDH1A1 (0.32) ALDH1A1F2
SCHEMBL14216867 0.71 MAOB (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10303060-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2019-05-28 US disclosed
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 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 ST14 4579/4885PDK2 491/4885MEN1 3151/4885
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX ST14 4097/4885PDK2 1617/4885MEN1 2280/4885
US-10303060-B2 Diazirine compounds and compositions derived therefrom ZYX, AOX1, RDX ST14 4097/4885PDK2 1617/4885MEN1 2280/4885

“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.