SCHEMBL19911587

SCHEMBL19911587

N#Cn1nnc2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
NPC1 O15118 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MDM4 O15151 1/20 0.40
MAPT P10636 6/20 0.37
HSD17B10 Q99714 1/20 0.37
FGFR1 P11362 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
F2 P00734 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAOA P21397 1/20 0.35
DRD1 P21728 1/20 0.35
ACHE P22303 1/20 0.35
PTGS1 P23219 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
SCHEMBL19848078 0.86 KDM4E (0.39) KDM4ENPC1L3MBTL1MDM4MAPT
SCHEMBL19915950 0.79 GAA (0.43) KDM4EMAPTKMT2ADRD3ALDH1A1
SCHEMBL19848248 0.79 KCNMA1 (0.41) KDM4EL3MBTL1HTTMEN1KMT2A
SCHEMBL19911478 0.79 KCNMA1 (0.41) MAPTFGFR1MEN1KMT2ALMNA
SCHEMBL19848353 0.75 KDM4E (0.46) KDM4ENPC1L3MBTL1MDM4MAPT
SCHEMBL19911509 0.75 HPGDS (0.41) KDM4ENPC1L3MBTL1MAPTFGFR1
SCHEMBL19915875 0.75 PKM (0.59) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL19848724 0.73 KDM4E (0.56) KDM4ENPC1L3MBTL1MAPTHSD17B10
SCHEMBL729766 0.73 TSHR (0.51) KDM4ENPC1MAPTHSD17B10KMT2A
SCHEMBL210242 0.72 NPC1 (0.54) KDM4ENPC1L3MBTL1MAPTHSD17B10

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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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 (2 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 KDM4E 2256/4885NPC1 2529/4885L3MBTL1 2127/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 KDM4E 2256/4885NPC1 2529/4885L3MBTL1 2127/4885

“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.