SCHEMBL7094532

SCHEMBL7094532

O=C(OCc1ccno1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
GAA P10253 3/20 0.43
MAPT P10636 5/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MGLL Q99685 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2332185 0.79 HTR2A (0.50) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7096139 0.79 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL345203 0.78 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7514939 0.78 HTR2A (0.54) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL5827968 0.78 HTR2A (0.80) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL1972455 0.77 HTR2A (0.67) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL7092278 0.77 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL6817042 0.76 HTR2A (0.54) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL409598 0.76 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL344774 0.76 HTR2A (0.49) HTR2ABCL9CTNNB1GAAMAPT

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667404-B2 Carbamylation of 1-amino group of 1,4-amino-3-hydroxybutane derivative with an organocarbonate containing thiazolyl, oxazolyl, isoxazolyl or isothiazolyl substituent ABBOTT LABORATORIES 2003-12-23 US disclosed
US-20030195362-A1 Retroviral protease inhibiting compounds KEMPF DALE J (US) 2003-10-16 US disclosed
EP-1302468-A1 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2003-04-16 EP disclosed
US-6531610-B1 Intermediate acylating carbonate ABBOTT LABORATORIES 2003-03-11 US disclosed
EP-1090914-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2003-01-02 EP disclosed
EP-0727419-B1 Intermediates for the preparation of retroviral protease inhibiting compounds ABBOTT LAB (US) 2002-02-27 EP disclosed
EP-1090914-A2 Processes and intermediates for manufacturing retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-6150530-A AMIDATION OF AMINE WITH ACID ABBOTT LABORATORIES (US) 2000-11-21 US disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 US disclosed
EP-0674513-A4 1995-10-25 EP disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
EP-0674513-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1995-10-04 EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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-20030195362-A1 Retroviral protease inhibiting compounds PREP, SERPINB1, PRSS1 HTR2A 4828/4885BCL9 442/4885CTNNB1 3435/4885

“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.