SCHEMBL27017044

SCHEMBL27017044

COc1ccc(CN(C(C)=NO)C(C)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CTBP2 P56545 1/20 0.39
▸ APLNR P35414 2/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ PYCR1 P32322 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL15209900 0.81 LDHA (0.50) SMN1; SMN2APLNRPSEN1PSEN2APH1B
SCHEMBL15058845 0.76 ALDH1A1 (0.47) SMN1; SMN2APLNRPSEN1PSEN2APH1B
SCHEMBL1458166 0.76 ALDH1A1 (0.47) SMN1; SMN2APLNRPSEN1PSEN2APH1B
SCHEMBL3508311 0.76 ALDH1A1 (0.47) SMN1; SMN2APLNRPSEN1PSEN2APH1B
SCHEMBL17271883 0.75 HTT (0.47) SMN1; SMN2APLNRALDH1A1HTTSLC6A4
SCHEMBL15215172 0.71 ACHE (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15898813 0.70 PSEN1 (0.47) SMN1; SMN2KDM4EPSEN1PSEN2APH1B
SCHEMBL28551807 0.70 APLNR (0.40) SMN1; SMN2APLNRALDH1A1HTTSLC6A4
SCHEMBL20472138 0.68 LDHA (0.45) SMN1; SMN2APLNRPSEN1PSEN2APH1B
SCHEMBL25402687 0.67 HTT (0.45) SMN1; SMN2APLNRALDH1A1HTTSLC6A4

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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 — — 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-20240016152-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX SMN1; SMN2 4195/4885KDM4E 978/4885CTBP2 3462/4885

“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.

Send feedback