SCHEMBL18540941

SCHEMBL18540941

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37
BLM P54132 1/20 0.36
POLB P06746 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
SCHEMBL18540943 0.87 L3MBTL1 (0.40) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540940 0.85 ALDH1A1 (0.47) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18527900 0.84 HPGD (0.45) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18527898 0.84 HPGD (0.45) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540945 0.84 SIRT6 (0.49) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540928 0.82 HPGD (0.47) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540952 0.82 HPGD (0.47) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540946 0.81 HPGD (0.49) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18540930 0.81 HPGD (0.49) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL18541069 0.81 ALDH1A1 (0.41) HPGDALDH1A1MEN1KMT2AL3MBTL1

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 1632/4885TSHR 401/4885

“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.