SCHEMBL735945

SCHEMBL735945

O=C(O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
ALDH1A1 P00352 5/20 0.53
TP53 P04637 2/20 0.49
MAPK1 P28482 1/20 0.48
ALOX5 P09917 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 1/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PKM P14618 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7789901 0.89 TP53 (0.55) ATMALDH1A1TP53SMN1; SMN2CES2
SCHEMBL10530983 0.89 ALDH1A1 (0.57) ATMALDH1A1TP53MAPK1ALOX5
SCHEMBL10525429 0.86 ALDH1A1 (0.72) ATMALDH1A1TP53MAPK1ALOX5
SCHEMBL10527468 0.85 ATM (0.56) ATMALDH1A1TP53MAPK1ALOX5
SCHEMBL3986259 0.81 ALOX5 (0.50) ATMALDH1A1TP53MAPK1ALOX5
SCHEMBL10793831 0.80 ALOX5 (0.48) ATMALDH1A1ALOX5SMN1; SMN2KDM4E
SCHEMBL1418030 0.79 CES2 (0.54) ATMALDH1A1SMN1; SMN2CES2PKM
SCHEMBL7055735 0.79 CES2 (0.54) ATMALDH1A1SMN1; SMN2CES2PKM
SCHEMBL7534105 0.79 CYP3A4 (0.50) ATMTP53ALOX5SMN1; SMN2CES2
SCHEMBL698882 0.78 ADRA2C (0.64) ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957646-B2 Methods and compositions of stable phenylephrine formulations JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-04-16 US claimed
JP-2008521941-A 2008-06-26 JP claimed
EP-1819344-A2 SEPARATION OF FULVESTRANT ISOMERS Sicor, Inc. (US) 2007-08-22 EP claimed
US-20070144968-A1 Separation of fulvestrant isomers SICOR, INC. 2007-06-28 US claimed
WO-2007044662-A2 SEPARATION OF FULVESTRANT ISOMERS SICOR, INC. (US) 2007-04-19 WO claimed
US-20050181496-A1 Process for preparing purified s-bel and r-bel and compositions thereof WASHINGTON UNIVERSITY 2005-08-18 US claimed
US-20050118409-A1 Chelator-modified inorganic oxide particles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-02 US claimed
WO-2005037397-A1 CHELATOR-MODIFIED INORGANIC OXIDE PARTICLES ZIRCHROM SEPARATIONS, INC. (US) 2005-04-28 WO claimed
WO-2003079996-A2 PROCESS FOR PREPARING PURIFIED S-BEL AND R-BEL AND COMPOSITIONS THEREOF WASHINGTON UNIVERSITY IN ST. LOUIS (US) 2003-10-02 WO claimed
EP-0567438-B1 Optically pure cis-oxalato(trans-l-1,2-cyclohexanediamine)Pt(II) and process for resolving optical isomers of a platinum complex compound TANAKA PRECIOUS METAL IND (JP) 1999-01-13 EP claimed
WO-1998039286-A1 METHOD FOR OBTAINING α-AMINO ACID ENANTIOMERS AND INTERMEDIATE DIASTEREOISOMERIC SALTS SANOFI (FR) 1998-09-11 WO claimed
US-5422004-A Monocyclic or polycyclic aromatic amide moiety; increased enantioselectivity RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-06-06 US claimed
US-5420319-A Cis-oxalato(trans-1-1,2-cyclohexanediamine) Pt(II) complex having high optical purity and process of preparing same TANAKA KIKINZOKU KOGYO K.K. (JP) 1995-05-30 US claimed
EP-0625523-A1 Cis-oxalato(trans-L-1,2-cyclohexanediamine) Pt(II) complex having high optical purity and process of preparing same Tanaka Kikinzoku Kogyo K.K. (JP) 1994-11-23 EP claimed
EP-0469739-B1 Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORP (JP) 1994-06-15 EP claimed
US-5298642-A Process of optically resoluting optically active platinum complex compound TANAKA KIKINZOKU KOGYO K.K. (JP) 1994-03-29 US claimed
WO-1994000408-A1 HIGH PERFORMANCE CHIRAL SELECTOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-01-06 WO claimed
EP-0567438-A1 Optically pure cis-oxalato(trans-l-1,2-cyclohexanediamine)Pt(II) and process for resolving optical isomers of a platinum complex compound Tanaka Kikinzoku Kogyo K.K. (JP) 1993-10-27 EP claimed
US-5149426-A Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORPORATION (JP) 1992-09-22 US claimed
EP-0469739-A1 Stationary phase for enantiomeric resolution in liquid chromatography SHIMADZU CORPORATION (JP) 1992-02-05 EP claimed

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-11957646-B2 Methods and compositions of stable phenylephrine formulations ADRA2C, ADRA1A, ADRB1 ATM 4787/4885ALDH1A1 2056/4885TP53 4776/4885

“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.