SCHEMBL13065872

SCHEMBL13065872

C[C@H](OC(N)=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.57
CYP19A1 P11511 3/20 0.57
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
SIRT4 Q9Y6E7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TBXAS1 P24557 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL27558665 0.85 CYP17A1 (0.58) CYP17A1CYP19A1SMN1; SMN2TBXAS1ALDH1A1
SCHEMBL18513757 0.81 CYP17A1 (0.48) CYP17A1CYP19A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL28440300 0.80 CYP19A1 (0.42) CYP17A1CYP19A1F7F3SARM1
SCHEMBL28299971 0.80 CYP17A1 (0.53) CYP17A1CYP19A1SMN1; SMN2TBXAS1ALDH1A1
SCHEMBL4791510 0.79 LMNA (0.37) CYP17A1CYP19A1LMNA
SCHEMBL19514656 0.79 CYP19A1 (0.53) CYP17A1CYP19A1ALDH1A1LMNAL3MBTL1
SCHEMBL27687109 0.79 SMN1; SMN2 (0.50) F7F3SARM1SIRT2SIRT6
SCHEMBL9652762 0.78 CYP17A1 (0.52) CYP17A1CYP19A1SMN1; SMN2TBXAS1ALDH1A1
SCHEMBL29290709 0.78 CYP17A1 (0.52) CYP17A1CYP19A1SMN1; SMN2TBXAS1ALDH1A1
SCHEMBL264866 0.78 HCAR2 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4E

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-20100298270-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100298270-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 CYP17A1 674/4885CYP19A1 761/4885F7 4856/4885

“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.