SCHEMBL2664545

SCHEMBL2664545

O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
MAPT P10636 6/20 0.71
RAB9A P51151 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 4/20 0.71
ALDH1A1 P00352 2/20 0.71
GAA P10253 2/20 0.64
CYP1A2 P05177 1/20 0.64
HTT P42858 1/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 2/20 0.61
MITF O75030 1/20 0.61
HCAR3 P49019 1/20 0.61
KDM4E B2RXH2 2/20 0.59

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
SCHEMBL30354968 1.00 NPC1 (0.71) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL30485791 0.91 NPC1 (0.80) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL22232687 0.91 NPC1 (0.80) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL25431226 0.86 RAB9A (0.76) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL29151219 0.86 NPC1 (0.72) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL12700208 0.85 GAA (0.59) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL5016607 0.84 ALDH1A1 (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL30354766 0.84 RAB9A (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL30354939 0.84 RAB9A (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL29151264 0.84 RAB9A (0.65) NPC1MAPTRAB9ASMN1; SMN2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
EP-4169916-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
WO-2021256902-A1 CARBONOHYDRAZONOYL DICYANIDE COMPOUND INCLUDING AT LEAST TWO TYPES OF ARYL OR HETEROARYL LINKED BY NOVEL LINKER, AND USE THEREOF 한국과학기술연구원 2021-12-23 WO disclosed
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 US 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 (3 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 NPC1 2328/4885MAPT 2830/4885RAB9A 1162/4885
US-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 NPC1 1139/4885MAPT 4022/4885RAB9A 3175/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 NPC1 1139/4885MAPT 4022/4885RAB9A 3175/4885

“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.