SCHEMBL3687614

SCHEMBL3687614

O=C(O)NOCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
IDO1 P14902 2/20 0.59
AKR1C3 P42330 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
MAOB P27338 1/20 0.49
PTGS2 P35354 1/20 0.48
PLA2G4B P0C869 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL18040277 0.84 RAB9A (0.59) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL10864161 0.82 IDO1 (0.57) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL7047908 0.80 IDO1 (0.63) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL5278978 0.78 IDO1 (0.56) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL14042050 0.77 IDO1 (0.59) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL10106824 0.77 IDO1 (0.59) RAB9ANPC1IDO1AKR1C3LOXL2
Bicarbonate SCHEMBL7693242 0.77 IDO1 (0.59) RAB9ANPC1IDO1AKR1C3LOXL2
SCHEMBL37665 0.77 AKR1C3 (0.62) RAB9ANPC1IDO1AKR1C3MAOB
SCHEMBL16195828 0.77 RAB9A (0.51) RAB9ANPC1MAOBMAPT
SCHEMBL8770420 0.76 IDO1 (0.54) RAB9ANPC1IDO1AKR1C3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940916-B1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY STARPHARMA PTY LTD (AU) 2016-12-14 EP claimed
US-8258259-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2012-09-04 US claimed
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry STARPHARMA PTY LIMITED (AU) 2009-05-07 US claimed
CN-115260211-B Thiophene condensed ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2024-02-06 CN disclosed
CN-115260211-A Thiophene fused ring containing derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-01 CN disclosed
CN-109593096-B Tricyclic heterocycles as BET protein inhibitors 因赛特公司 2022-01-14 CN disclosed
EP-2052011-B1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2020-11-04 EP disclosed
EP-1940916-B1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY STARPHARMA PTY LTD (AU) 2016-12-14 EP disclosed
US-9127130-B2 Polylysine dendrimer contrast agent STARPHARMA PTY LTD. (AU) 2015-09-08 US disclosed
US-8586705-B2 Macromolecular compounds having controlled stoichiometry STARPHARMA PTY LIMITED (AU) 2013-11-19 US disclosed
US-8420067-B2 Targeted polylysine dendrimer therapeutic agent STARPHARMA PTY LTD (AU) 2013-04-16 US disclosed
US-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD 2010-11-04 US disclosed
WO-2009103123-A1 DENDRIMERIC ENZYME INHIBITORS STARPHARMA PTY LIMITED (AU) 2009-08-27 WO disclosed
EP-2076557-A1 POLYLYSINE DENDRIMER CONTRAST AGENT Starpharma Pty Ltd (AU) 2009-07-08 EP disclosed
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry STARPHARMA PTY LIMITED (AU) 2009-05-07 US disclosed
EP-2052011-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT Starpharma Pty Ltd (AU) 2009-04-29 EP disclosed
EP-1940916-A1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY Starpharma Pty Limited (AU) 2008-07-09 EP disclosed
WO-2008017125-A1 TARGETED POLYLYSINE DENDRIMER THERAPEUTIC AGENT STARPHARMA PTY LTD (AU) 2008-02-14 WO disclosed
WO-2008017122-A1 POLYLYSINE DENDRIMER CONTRAST AGENT STARPHARMA PTY LTD (AU) 2008-02-14 WO disclosed
WO-2007048190-A1 MACROMOLECULAR COMPOUNDS HAVING CONTROLLED STOICHIOMETRY STARPHARMA PTY LIMITED (AU) 2007-05-03 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 (2 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-20100278750-A1 POLYLYSINE DENDRIMER CONTRAST AGENT PARG, PARN, TLR3 RAB9A 2169/4885NPC1 1297/4885IDO1 967/4885
US-20090118467-A1 Macromolecular Compounds Having Controlled Stoichiometry MICA, PICALM, CLTB RAB9A 4358/4885NPC1 1131/4885IDO1 264/4885

“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.