SCHEMBL19915690

SCHEMBL19915690

COCn1nnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
GRM2 Q14416 2/20 0.42
GPR139 Q6DWJ6 6/20 0.39
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 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
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.36
TDO2 P48775 1/20 0.35
SLC9A1 P19634 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
SCHEMBL19848116 0.88 PKM (0.55) PKMGRM2GPR139L3MBTL1LMNA
SCHEMBL19848153 0.83 SLC9A1 (0.53) PKMGRM2GPR139PDE2AL3MBTL1
SCHEMBL19915942 0.81 SLC9A1 (0.55) PKMGRM2GPR139KDM4EMAPT
SCHEMBL19848606 0.80 GRM2 (0.42) GRM2GPR139L3MBTL1KDM4ELMNA
SCHEMBL19911489 0.78 POLB (0.44) KDM4ELMNAALOX15MAPK1HTT
SCHEMBL19848403 0.78 SLC9A1 (0.57) PKMGRM2GPR139PDE2AKDM4E
SCHEMBL19848209 0.77 HDAC3 (0.47) KDM4ELMNAMAPK1HTTMAPT
SCHEMBL19041909 0.77 PKM (0.47) PKMGRM2PDE2APDE10AL3MBTL1
SCHEMBL19911608 0.77 SLC9A1 (0.38) L3MBTL1KDM4EMAPTKMT2ASLC9A1
SCHEMBL19848404 0.77 PKM (0.44) PKMGRM2GPR139PDE2APDE10A

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-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

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 PKM 2292/4885GRM2 2693/4885GPR139 4143/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 PKM 2292/4885GRM2 2693/4885GPR139 4143/4885

“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.