SCHEMBL30133398

SCHEMBL30133398

O=C(OCCCc1cccc(Cl)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR2A P28223 1/20 0.46
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.41
FAAH O00519 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.40
ENPP2 Q13822 1/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40

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
SCHEMBL25854988 1.00 MEN1 (0.47) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL1976715 0.86 HTR2A (0.58) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL763025 0.80 HTR2A (0.57) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL409598 0.80 HTR2A (0.59) KMT2ALMNAHTR2APTPN7PTPN12
SCHEMBL22959846 0.79 HTR2A (0.56) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL10062012 0.79 HTR2A (0.56) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL4381712 0.78 MAPT (0.50) MEN1KMT2AL3MBTL1HTR2APTPN7
SCHEMBL1119050 0.78 HTR2A (0.53) MEN1KMT2ALMNAHTR2AALDH1A1
SCHEMBL20466168 0.78 HTR2A (0.52) MEN1KMT2ALMNAL3MBTL1HTR2A
SCHEMBL15416492 0.77 HTR2A (0.62) MEN1KMT2AL3MBTL1HTR2APTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150318-A1 PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE 2024-05-09 US disclosed
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 EP disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 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 (3 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 MEN1 3185/4885KMT2A 2364/4885LMNA 2237/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 MEN1 3185/4885KMT2A 2364/4885LMNA 2237/4885
US-20240150318-A1 PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS ACE, ACE2, TMPRSS2 MEN1 3185/4885KMT2A 2364/4885LMNA 2237/4885

“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.