SCHEMBL18540928

SCHEMBL18540928

Cc1cc(N2C[C@@H](CO)O[C@@H]2C)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPT P10636 3/20 0.38
BLM P54132 1/20 0.37
GRK6 P43250 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL18540952 1.00 HPGD (0.47) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18540930 0.90 HPGD (0.49) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18540946 0.90 HPGD (0.49) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18540954 0.86 SIRT6 (0.50) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL18540932 0.86 SIRT6 (0.50) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL18527782 0.84 HPGD (0.43) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18527683 0.84 HPGD (0.43) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18540941 0.82 HPGD (0.49) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18540940 0.80 ALDH1A1 (0.47) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18541010 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1RAB9A

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 HPGD 1020/4885ALDH1A1 1632/4885MEN1 3697/4885

“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.