SCHEMBL14246552

SCHEMBL14246552

O=[N+]([O-])P(=O)(Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ADAM17 P78536 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CFTR P13569 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALOX12 P18054 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FBP1 P09467 2/20 0.35

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
SCHEMBL3804426 0.76 NPC1 (0.44) NPC1ADAM17ALDH1A1LMNACA2
SCHEMBL11889588 0.76 NPC1 (0.44) NPC1ADAM17ALDH1A1LMNACA2
SCHEMBL10954746 0.73 CA2 (0.52) NPC1ADAM17ALDH1A1LMNACA2
Nitrobenzene SCHEMBL28265347 0.70 ALDH1A1 (0.76) NPC1ALDH1A1LMNAL3MBTL1ALOX12
SCHEMBL7815706 0.70 NPC1 (0.47) NPC1ADAM17ALDH1A1LMNACA2
SCHEMBL8914148 0.70 TSHR (0.38) NPC1ADAM17ALDH1A1LMNACA2
SCHEMBL140712 0.69 CA2 (0.52) ALDH1A1LMNACA2CA4CA5A
SCHEMBL28809780 0.69 CA2 (0.52) ALDH1A1LMNACA2CA4CA5A
Benzene SCHEMBL28274900 0.69 CA2 (0.52) ALDH1A1LMNACA2CA4CA5A
SCHEMBL95882 0.69 CA2 (0.52) ALDH1A1LMNACA2CA4CA5A

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-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 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-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A NPC1 1491/4885ADAM17 1842/4885ALDH1A1 495/4885

“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.