SCHEMBL9503458

SCHEMBL9503458

O=C1NC(=O)c2c1ccc([N+](=O)[O-])c2[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.47
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 2/20 0.39
PARP1 P09874 2/20 0.39
CHEK1 O14757 2/20 0.38
TSHR P16473 2/20 0.38
GPR35 Q9HC97 1/20 0.38
S100A4 P26447 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GSK3B P49841 1/20 0.37
TDP2 O95551 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9468595 0.85 CYP3A4 (0.40) CYP3A4TDP1POLBBCHEACHE
SCHEMBL29260787 0.85 CYP3A4 (0.39) CYP3A4TDP1POLBBCHEACHE
SCHEMBL8092353 0.81 ALDH1A1 (0.55) CYP3A4TDP1POLBSMN1; SMN2MEN1
SCHEMBL28138230 0.81 CYP3A4 (0.46) CYP3A4TDP1POLBSMN1; SMN2MEN1
SCHEMBL28133852 0.81 CYP3A4 (0.46) CYP3A4TDP1POLBBCHEACHE
SCHEMBL8098610 0.81 TDP1 (0.46) CYP3A4TDP1POLBBCHEACHE
SCHEMBL19358248 0.81 CYP3A4 (0.46) CYP3A4TDP1POLBBCHEACHE
SCHEMBL768176 0.81 TDP1 (0.46) CYP3A4TDP1POLBBCHEACHE
SCHEMBL28061763 0.81 TDP1 (0.47) CYP3A4TDP1POLBBCHEACHE
SCHEMBL5151002 0.78 POLB (0.44) CYP3A4TDP1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271901-A Alcohol-soluble environment-friendly printing ink and preparation method thereof 厦门欧化实业有限公司 2024-07-02 CN claimed
US-20190153160-A1 POLYETHERIMIDE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2019-05-23 US claimed
JP-60097647-A None JP disclosed
JP-59170119-A None JP disclosed
CN-118271901-A Alcohol-soluble environment-friendly printing ink and preparation method thereof 厦门欧化实业有限公司 2024-07-02 CN disclosed
US-20190153160-A1 POLYETHERIMIDE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2019-05-23 US disclosed
US-10227452-B2 Polyetherimide compositions and methods for the manufacture and use thereof SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-03-12 US disclosed
US-20170260333-A1 POLYETHERIMIDE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2017-09-14 US disclosed
US-9688816-B2 Polyetherimide compositions and methods for the manufacture and use thereof SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-27 US disclosed
US-20170087129-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ATHEROSCLEROTIC CARDIOVASCULAR DISEASES WITH PDE4 MODULATORS NEW YORK UNIVERSITY 2017-03-30 US disclosed
US-20150133625-A1 POLYETHERIMIDE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2015-05-14 US disclosed
US-5120824-A Molding materials based on unsaturated monomers containing imide groups; engineering thermoplastics; toughness; heat resistance TECHNOCHEMIE GMBH VERFAHRENSTECHNIK (DE) 1992-06-09 US disclosed
EP-0375079-A2 Alkenylphoxylimide modified polyimide Technochemie GmbH - Verfahrenstechnik (DE) 1990-06-27 EP disclosed
US-4870124-A POLYESTER AND HYDROGENATED ALPHA-OLEFIN OLIGOMER AS RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
US-4870123-A POLYPHENYLENE ETHER AND HYDROGENATED ALPHA-OLEFIN OLIGOMER AS RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
US-4870125-A THERMOPLASTIC POLYETHERIMIDE AND HYDROGENATED ALPHA-OLEFIN OLIGOMER RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-09-26 US disclosed
EP-0321707-A2 Thermoplastic resin composition containing mould release agents GENERAL ELECTRIC COMPANY (US) 1989-06-28 EP disclosed
US-4826913-A POLYARYL SULFONE AND HYDROGENATED OLIGOMER RELEASE AGENT GENERAL ELECTRIC COMPANY (US) 1989-05-02 US disclosed
JP-S6097647-A SEMICONDUCTOR DEVICE HITACHI LTD 1985-05-31 JP disclosed
JP-S59170119-A PREPARATION OF THERMOPLASTIC POLYETHER IMIDE POYMER HITACHI CHEM CO LTD 1984-09-26 JP 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-20170087129-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ATHEROSCLEROTIC CARDIOVASCULAR DISEASES WITH PDE4 MODULATORS PDE4A, PDE4B, PDE3B CYP3A4 608/4885TDP1 160/4885POLB 1008/4885

“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.