SCHEMBL19399253

SCHEMBL19399253

CC1(c2ccc(COCCCCCOCc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)N=N1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GBA1 P04062 4/20 0.33
GABRA1 P14867 3/20 0.33
UGCG Q16739 3/20 0.33
GBA2 Q9HCG7 3/20 0.33
GABRB2 P47870 2/20 0.33
KIF11 P52732 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
DUSP3 P51452 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
ABCB1 P08183 2/20 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
SCHEMBL19399251 0.96 GABRA1 (0.33) L3MBTL1TDP1GABRA1GABRB2KIF11
SCHEMBL19399244 0.92 L3MBTL1 (0.36) L3MBTL1TDP1GABRA1GABRB2KIF11
SCHEMBL19399255 0.92 PTPN2 (0.35) GABRA1GABRB2KIF11PTPN2PTPN1
SCHEMBL17642475 0.92 TDP1 (0.37) L3MBTL1TDP1GBA1GABRA1UGCG
SCHEMBL17625265 0.90 GABRA1 (0.36) GABRA1GABRB2KIF11GABRG2GABRB3
SCHEMBL19399249 0.89 GABRA1 (0.33) L3MBTL1TDP1GABRA1GABRB2KIF11
SCHEMBL17642496 0.87 KIF11 (0.37) L3MBTL1TDP1GBA1GABRA1UGCG
SCHEMBL17625235 0.87 L3MBTL1 (0.43) L3MBTL1TDP1GBA1UGCGGBA2
SCHEMBL24862615 0.86 L3MBTL1 (0.46) L3MBTL1TDP1GBA1GABRA1UGCG
SCHEMBL17600542 0.83 L3MBTL1 (0.38) L3MBTL1TDP1GBA1GABRA1UGCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM PROMERUS, LLC (US) 2018-07-05 US disclosed
US-20170279048-A1 DIAZIRINE CONTAINING ORGANIC ELECTRONIC COMPOSITIONS AND DEVICE THEREOF PROMERUS, LLC (US) 2017-09-28 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 (1 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-20180186747-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM ZYX, AOX1, RDX L3MBTL1 3341/4885TDP1 3061/4885GBA1 3870/4885

“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.