SCHEMBL18540945

SCHEMBL18540945

C[C@H]1O[C@H](C(=O)O)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
AR P10275 10/20 0.43
LMNA P02545 4/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 2/20 0.43
PGR P06401 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.41

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
SCHEMBL18528044 0.87 SIRT6 (0.46) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18528040 0.87 SIRT6 (0.46) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540944 0.86 SIRT6 (0.44) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540941 0.84 HPGD (0.49) LMNACYP3A4SMN1; SMN2CYP1A2CYP2C9
SCHEMBL18540932 0.83 SIRT6 (0.50) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540954 0.83 SIRT6 (0.50) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540958 0.83 SIRT6 (0.52) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540933 0.83 SIRT6 (0.52) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL18540943 0.83 L3MBTL1 (0.40) SIRT6LMNACYP3A4CYP1A2CYP2C9
SCHEMBL18541080 0.83 SIRT6 (0.44) SIRT6ARLMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809583-B2 Oxazolidine-based compound and selective androgen receptor agonist comprising same DONG-A ST CO., LTD. (KR) 2017-11-07 US disclosed
US-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME DONG-A ST CO., LTD. (KR) 2017-02-23 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-20170050955-A1 OXAZOLIDINE-BASED COMPOUND AND SELECTIVE ANDROGEN RECEPTOR AGONIST COMPRISING SAME AR, SHBG, MUSK SIRT6 2769/4885AR 1/4885LMNA 3135/4885

“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.