SCHEMBL497443

SCHEMBL497443

O=C1C([N+](=O)[O-])=C[N]C=C1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.32
PTPRC P08575 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8821217 0.70 S100A4 (0.33) S100A4PTPRCBCHEACHECES1
SCHEMBL9218352 0.63
SCHEMBL11802296 0.63 LMNA (0.33) S100A4PTPRCBCHEACHECES1
SCHEMBL651428 0.52 MEN1 (0.75) ACHEHPGDTSHRHIF1A
SCHEMBL1194020 0.51 TSHR (0.45) S100A4ACHECYP3A4TSHR
Hydrochloric Acid SCHEMBL30978214 0.49 MEN1 (0.67) ACHEHPGDTSHRHIF1A
SCHEMBL1476442 0.49 MEN1 (0.67) ACHEHPGDTSHRHIF1A
SCHEMBL136652 0.47
SCHEMBL9093617 0.47 MEN1 (0.86) HPGDTSHRHIF1A
SCHEMBL14916717 0.47 MEN1 (0.86) HPGDTSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
US-9708350-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-18 US claimed
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP disclosed
US-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-20 US disclosed
EP-3434713-B1 METHODS OF PREPARING AND PURIFYING POLYALKYLENE GLYCOL DERIVATIVES SHINETSU CHEMICAL CO (JP) 2021-06-09 EP disclosed
US-10836861-B2 Methods of preparing and purifying polyalkylene glycol derivative SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-17 US disclosed
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-04 US disclosed
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-12 US disclosed
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-24 US disclosed
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END SHINETSU CHEMICAL CO (JP) 2019-10-17 US disclosed
US-10377775-B2 Method for producing polyalkylene glycol derivative having amino group at end SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-13 US disclosed
WO-2001030802-A2 THERAPEUTIC TREATMENTS COMPRISING ADMINISTRATION OF CERTAIN STEROIDS FOR BLOOD CELL DEFICIENCIES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2001-05-03 WO disclosed
WO-2000032201-A2 USE OF 17-KETOSTEROIDS FOR THE TREATMENT OF MALARIA AND TRYPANOSOMIASIS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-06-08 WO disclosed
WO-2000032176-A2 USE OF 17-KETOSTEROIDS FOR THE TREATMENT OF TOXOPLASMOSIS AND CRYPTOSPORIDOSIS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-06-08 WO disclosed
WO-2000032177-A2 USE OF 17-KETOSTEROIDS IN THE TREATMENT OF HEPATITIS C VIRUS AND OTHER TOGAVIRUS INFECTIONS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-06-08 WO disclosed
US-6034118-A ENZYME INHIBITOR GILEAD SCIENCES, INC. (US) 2000-03-07 US disclosed
US-5811450-A DIAGNOSIS, TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 1998-09-22 US disclosed
US-5705524-A ENZYME INHIBITORS; VIRICIDES GILEAD SCIENCES, INC. (US) 1998-01-06 US disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 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 (6 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-10377775-B2 Method for producing polyalkylene glycol derivative having amino group at end KCNMA1, KCNMB1, KCNMB4 S100A4 1604/4885PTPRC 4518/4885BCHE 4099/4885
US-11066430-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 S100A4 1674/4885PTPRC 4464/4885BCHE 3557/4885
US-10472377-B2 Method for producing polyalkylene glycol derivative having amino group at end, polymerization initiator for use in the same, and alcohol compound as raw material for the polymerization initiator ADH1A, ADH1C, AP3M1 S100A4 2972/4885PTPRC 4536/4885BCHE 3148/4885
US-10550136-B2 Method for producing polyalkylene glycol derivative having amino group at end RAD1, AP3B1, RER1 S100A4 1702/4885PTPRC 4452/4885BCHE 3577/4885
US-20190315777-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END KCNMA1, KCNMB1, KCNMB4 S100A4 1623/4885PTPRC 4512/4885BCHE 4115/4885
US-20190322688-A1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END RAD1, AP3B1, RER1 S100A4 1674/4885PTPRC 4464/4885BCHE 3557/4885

“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.