SCHEMBL13428702

SCHEMBL13428702

O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
ALDH1A1 P00352 2/20 0.77
LMNA P02545 2/20 0.77
DEGS1 O15121 1/20 0.65
PTGS1 P23219 2/20 0.64
HTT P42858 1/20 0.60
GAA P10253 2/20 0.59
CYP1A2 P05177 1/20 0.58
STAT3 P40763 1/20 0.57
KDM4E B2RXH2 1/20 0.54
TRPV1 Q8NER1 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL30354762 1.00 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30485791 0.89 NPC1 (0.80) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22232687 0.89 NPC1 (0.80) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30354767 0.87 PTGS1 (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29151324 0.87 PTGS1 (0.67) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29151219 0.86 NPC1 (0.72) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25431226 0.84 RAB9A (0.76) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30354968 0.83 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2664545 0.83 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13428725 0.81 STAT3 (0.53) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 6 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
CN-115955968-A Carbohydrazone acyldinitrile compounds comprising at least two aryl or heteroaryl groups connected by a novel linker and uses thereof 韩国科学技术研究院 2023-04-11 CN 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
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 US disclosed
US-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-03-18 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 (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-20100069443-A1 COMPOUND WITH BENZAMIDE SKELETON HAVING CYCLOOXYGENASE-1 (COX-1)-SELECTIVE INHIBITORY ACTIVITY PTGS1, PTGS2, PTGIS MAPT 4176/4885NPC1 3504/4885RAB9A 3360/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 MAPT 2830/4885NPC1 2328/4885RAB9A 1162/4885

“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.