SCHEMBL5874327

SCHEMBL5874327

CCOC(=O)CC(C)(C[N+](=O)[O-])c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
ITGA4 P13612 1/20 0.38
S1PR1 P21453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CETP P11597 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37

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
SCHEMBL28291723 0.78 LMNA (0.50) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL26249273 0.78 LMNA (0.39) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL28291870 0.74 LMNA (0.52) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3134099 0.73 SMN1; SMN2 (0.48) LMNAHSD11B1SMN1; SMN2ALDH1A1NPC1
SCHEMBL6996539 0.72 SMN1; SMN2 (0.48) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28293342 0.72 LMNA (0.47) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL19125845 0.71 LMNA (0.49) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD
SCHEMBL745452 0.71 CYP2C19 (0.56) LMNASMN1; SMN2ALDH1A1CETPCYP2C19
SCHEMBL20535766 0.71 L3MBTL1 (0.40) LMNASMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL8329339 0.70 LMNA (0.47) LMNAHSD11B1SMN1; SMN2ALDH1A1HPGD

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-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 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-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS LMNA 3998/4885HSD11B1 1693/4885SMN1; SMN2 4418/4885

“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.