SCHEMBL19848741

SCHEMBL19848741

Nn1nnc2ccc(F)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
THPO P40225 1/20 0.53
CYP4Z1 Q86W10 1/20 0.53
GRM2 Q14416 2/20 0.39
BACE1 P56817 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PDE10A Q9Y233 2/20 0.35
KCNMA1 Q12791 2/20 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
SCHEMBL19911613 0.84 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19848340 0.78 MAPT (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL17410806 0.76 SLC9A1 (0.53) MAPTKMT2ACYP11B1CYP11B2PDE10A
SCHEMBL17103034 0.76 POLB (0.53) ALDH1A1GRM2KMT2AMGAMAMY1A
SCHEMBL14477426 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19848711 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19848603 0.73 MAPK14 (0.37) GRM2KMT2ACYP11B1CYP11B2MGAM
SCHEMBL19911627 0.72 CYP11B2 (0.35) GRM2KMT2ACYP11B1CYP11B2MGAM
SCHEMBL19911631 0.72 GRM2 (0.47) GRM2HTR2AHTR2C
SCHEMBL19848372 0.72 MAPK14 (0.58) ALDH1A1CYP1A2CYP11B1CYP11B2PDE10A

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 5 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
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP 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 ALDH1A1 3497/4885CYP1A2 2689/4885CYP3A4 1267/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885CYP1A2 2689/4885CYP3A4 1267/4885

“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.