SCHEMBL5801410

SCHEMBL5801410

CCn1cc(C(=O)OCCCCO[N+](=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 4/20 0.65
BRD4 O60885 1/20 0.65
LMNA P02545 1/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.65
CYP2J2 P51589 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
DRD3 P35462 1/20 0.51
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
GAA P10253 3/20 0.50
NPC1 O15118 1/20 0.50
RAD52 P43351 1/20 0.49
GLA P06280 1/20 0.48
HIF1A Q16665 1/20 0.47

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
Nitric Acid SCHEMBL5749677 0.98 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL5752800 0.87 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL9344503 0.85 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL11967716 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL9426943 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL9634547 0.82 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL13923331 0.82 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10BRD4
Hydrochloric Acid SCHEMBL6776533 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL7460315 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10BRD4
SCHEMBL10028896 0.79 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253924-B1 NITRATE SALTS OF ANTIMICROBIAL AGENTS NICOX SA (FR) 2006-04-19 EP disclosed
US-6794372-B2 QUINOLONE ANTIBIOTIC VIRICIDES, FUNGICIDES, AND BACTERICIDES NICOX S.A. (FR) 2004-09-21 US disclosed
US-20030105066-A1 Nitrate salts of antimicrobial agents NICOX S.A. (FR) 2003-06-05 US disclosed
CN-1419450-A Nitrate salts of antimicrobial drugs NICOX SA (FR) 2003-05-21 CN 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-20030105066-A1 Nitrate salts of antimicrobial agents NOS1, NOS3, NOS2 KDM4E 4352/4885ALDH1A1 2808/4885HPGD 1399/4885

“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.