SCHEMBL13923331

SCHEMBL13923331

CCn1cc(C(=O)OF)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.79
ALDH1A1 P00352 6/20 0.79
HSD17B10 Q99714 4/20 0.79
HPGD P15428 4/20 0.79
BRD4 O60885 1/20 0.79
LMNA P02545 1/20 0.79
TSHR P16473 1/20 0.79
HTT P42858 1/20 0.79
CYP2J2 P51589 1/20 0.79
NPSR1 Q6W5P4 1/20 0.79
DRD3 P35462 1/20 0.62
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
GAA P10253 3/20 0.60
RAD52 P43351 1/20 0.59
NPC1 O15118 1/20 0.57
GLA P06280 1/20 0.55

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
SCHEMBL9634547 0.92 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL9344503 0.91 KDM4E (0.79) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL13923341 0.89 DRD3 (0.79) KDM4EALDH1A1HSD17B10HPGDLMNA
Norfloxacin SCHEMBL27395494 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDBRD4
SCHEMBL10028896 0.89 KDM4E (0.84) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL3473 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL2221304 0.89 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL11524201 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL10911469 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HSD17B10HPGDBRD4
Norfloxacin SCHEMBL28495826 0.88 ALDH1A1 (0.98) KDM4EALDH1A1HSD17B10HPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NITROMED, INC. (US) 2009-02-12 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-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NOS1, NOS2, NOS3 KDM4E 3754/4885ALDH1A1 2518/4885HSD17B10 2808/4885

“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.