SCHEMBL5752800

SCHEMBL5752800

CCn1cc(C(=O)OCCCCO[N+](=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 5/20 0.55
HPGD P15428 5/20 0.55
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
HIF1A Q16665 1/20 0.50
DRD3 P35462 1/20 0.50
NPC1 O15118 1/20 0.49
GAA P10253 2/20 0.48
RAD52 P43351 1/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BRD4 O60885 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PIK3CD O00329 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
SCHEMBL5753184 0.89 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL5801410 0.87 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDMEN1
Nitric Acid SCHEMBL5749677 0.85 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9633140 0.84 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL4768364 0.82 HSD17B10 (0.75) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL30306133 0.82 HSD17B10 (0.75) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7460315 0.81 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL5786534 0.79 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL5328483 0.76 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL27397656 0.75 HSD17B10 (0.78) KDM4EALDH1A1HSD17B10HPGDMEN1

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 3 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

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 2808/4885HSD17B10 4408/4885

“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.