SCHEMBL428435

SCHEMBL428435

[CH2]CN(C)CCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.39
CHRM3 P20309 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.34
DUSP3 P51452 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN1A P35498 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 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
SCHEMBL791912 0.87 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL684590 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL14300251 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL792222 0.80 SIGMAR1 (0.45) ALDH1A1SMN1; SMN2KEAP1KDM4EGLA
SCHEMBL24065992 0.80 CA12 (0.44) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL425365 0.79 SIGMAR1 (0.47) SIGMAR1CYP1A2HRH3
SCHEMBL8896209 0.79 USP2 (0.35) ALDH1A1SMN1; SMN2KEAP1KDM4EGLA
SCHEMBL154374 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KEAP1KDM4EGLA
SCHEMBL2733378 0.78 KEAP1 (0.53) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA
SCHEMBL18024043 0.78 CHRM3 (0.40) ALDH1A1SMN1; SMN2KEAP1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417265-A Lipid composition 富士胶片株式会社 2024-01-19 CN disclosed
CN-112262122-B Compound or salt and lipid particle thereof 富士胶片株式会社 2023-10-13 CN disclosed
CN-116172975-A Lipid particle, nucleic acid drug comprising same, and composition for nucleic acid delivery 富士胶片株式会社 2023-05-30 CN disclosed
CN-114728016-A Lipid composition 富士胶片株式会社 2022-07-08 CN disclosed
CN-113924128-A Lipid composition 富士胶片株式会社 2022-01-11 CN disclosed
CN-112262122-A Compound or salt thereof, and lipid particle 富士胶片株式会社 2021-01-22 CN disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885SMN1; SMN2 4383/4885KEAP1 408/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885SMN1; SMN2 4383/4885KEAP1 408/4885

“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.