SCHEMBL25796970

SCHEMBL25796970

O=[N+]([O-])c1ccc(N2CCOCC2)c(OC(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.51
SLC6A5 Q9Y345 1/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 4/20 0.49
MAPT P10636 3/20 0.49
PAX8 Q06710 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
IDE P14735 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL20242265 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNASLC6A5NPC1
SCHEMBL6318350 0.85 ADRB1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL17631929 0.83 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNASLC6A5HTT
SCHEMBL2062084 0.83 SLC6A5 (0.64) ALDH1A1SMN1; SMN2LMNASLC6A5HTT
SCHEMBL29788533 0.83 SLC6A5 (0.64) ALDH1A1SMN1; SMN2LMNASLC6A5HTT
SCHEMBL4362315 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNASLC6A5MAPT
SCHEMBL29791350 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNASLC6A5NPC1
SCHEMBL25796967 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNASLC6A5NPC1
SCHEMBL25797097 0.82 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNASLC6A5NPC1
SCHEMBL12528187 0.82 SLC6A5 (0.63) ALDH1A1SMN1; SMN2LMNASLC6A5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 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 (1 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-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK ALDH1A1 2839/4885SMN1; SMN2 4680/4885LMNA 4829/4885

“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.