SCHEMBL7824969

SCHEMBL7824969

COc1cc([N+](=O)[O-])ccc1P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.54
KCNMA1 Q12791 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ERN1 O75460 1/20 0.45
CYP19A1 P11511 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL17652918 0.90 HTT (0.57) HTTTDP1PKMKCNMA1SMN1; SMN2
SCHEMBL17652919 0.90 HTT (0.57) HTTTDP1PKMKCNMA1SMN1; SMN2
SCHEMBL17652763 0.84 HTT (0.50) HTTTDP1PKMKCNMA1SMN1; SMN2
SCHEMBL17652764 0.84 HTT (0.50) HTTTDP1PKMKCNMA1SMN1; SMN2
Phosphoric Acid SCHEMBL27916059 0.82 HTT (0.58) HTTTDP1PKMKCNMA1SMN1; SMN2
SCHEMBL23051604 0.82 HTT (0.48) HTTTDP1PKMKCNMA1SMN1; SMN2
Phosphoric Acid SCHEMBL28200300 0.80 HTT (0.55) HTTTDP1PKMKCNMA1SMN1; SMN2
Methyl Alcohol SCHEMBL27770206 0.79 HTT (0.68) HTTTDP1PKMSMN1; SMN2LMNA
Phosphoric Acid SCHEMBL27916060 0.79 TDP1 (0.57) HTTTDP1PKMKCNMA1SMN1; SMN2
SCHEMBL527567 0.78 HTT (0.72) HTTTDP1PKMSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941115-B2 Kinase inhibitors OXULAR ACQUISITIONS LIMITED (GB) 2021-03-09 US disclosed
US-20190330155-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2019-10-31 US disclosed
US-10392346-B2 Kinase inhibitors TOPIVERT PHARMA LIMITED (GB) 2019-08-27 US disclosed
US-10125100-B2 Kinase inhibitors RESPIVERT LIMITED 2018-11-13 US disclosed
US-20180319748-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2018-11-08 US disclosed
US-20170253563-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2017-09-07 US disclosed
US-9751837-B2 Kinase inhibitors RESPIVERT LIMITED (GB) 2017-09-05 US disclosed
EP-3201179-A1 DIARYL UREA DERIVATIVES AS P38 KINASE INHIBITORS Respivert Limited (GB) 2017-08-09 EP disclosed
US-20160102059-A1 KINASE INHIBITORS OXULAR ACQUISITIONS LIMITED (GB) 2016-04-14 US disclosed
WO-2016051187-A1 DIARYL UREA DERIVATIVES AS P38 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2016-04-07 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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 (7 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-20180319748-A1 KINASE INHIBITORS LYN, SYK, BTK HTT 4851/4885TDP1 1294/4885PKM 2047/4885
US-10125100-B2 Kinase inhibitors SYK, LYN, SRC HTT 4833/4885TDP1 1981/4885PKM 1249/4885
US-20190330155-A1 KINASE INHIBITORS SYK, LYN, BTK HTT 4816/4885TDP1 1390/4885PKM 1515/4885
US-10941115-B2 Kinase inhibitors SYK, LYN, BTK HTT 4816/4885TDP1 1390/4885PKM 1515/4885
US-20160102059-A1 KINASE INHIBITORS SYK, LYN, BTK HTT 4791/4885TDP1 1380/4885PKM 1507/4885
US-20170253563-A1 KINASE INHIBITORS SYK, LYN, SRC HTT 4833/4885TDP1 1981/4885PKM 1249/4885
US-10392346-B2 Kinase inhibitors LYN, SYK, BTK HTT 4851/4885TDP1 1294/4885PKM 2047/4885

“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.