SCHEMBL19915686

SCHEMBL19915686

N#CCn1nnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TDO2 P48775 1/20 0.35
KCNMA1 Q12791 1/20 0.34
MAPT P10636 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL19915877 0.88 PKM (0.55) GRM2PKMTSHRGLAKDM4E
SCHEMBL19848404 0.85 PKM (0.44) GRM2PKMTSHRKDM4EL3MBTL1
SCHEMBL19848153 0.80 SLC9A1 (0.53) GRM2PKMKDM4EL3MBTL1KMT2A
SCHEMBL19848607 0.80 TSHR (0.43) GRM2TSHRGLAKDM4EHSD17B10
SCHEMBL19915942 0.78 SLC9A1 (0.55) GRM2PKMKDM4EMAPTGPR139
SCHEMBL19848199 0.77 POLB (0.43) TSHRGLAKDM4EHSD17B10LMNA
SCHEMBL19848303 0.77 PKM (0.47) GRM2PKMKDM4EL3MBTL1HSD17B10
SCHEMBL19848267 0.77 TSHR (0.43) TSHRGLAKDM4EHSD17B10KMT2A
SCHEMBL19848548 0.77 TSHR (0.43) GRM2TSHRGLAKDM4EL3MBTL1
SCHEMBL19915690 0.77 PKM (0.44) GRM2PKMKDM4EL3MBTL1HSD17B10

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
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP 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 GRM2 2693/4885PKM 2292/4885TSHR 2034/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 GRM2 2693/4885PKM 2292/4885TSHR 2034/4885

“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.