SCHEMBL5569289

SCHEMBL5569289

COc1cc([N+](=O)[O-])ccc1OCc1cnccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 3/20 0.47
ATM Q13315 1/20 0.46
SYK P43405 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALPL P05186 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL30354796 0.86 KMT2A (0.45) KMT2AMEN1SMN1; SMN2SYKTDP1
SCHEMBL25384763 0.86 KMT2A (0.45) KMT2AMEN1SMN1; SMN2SYKTDP1
SCHEMBL6017266 0.85 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2HTTSYK
SCHEMBL30354912 0.85 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2HTTSYK
SCHEMBL30638121 0.84 KMT2A (0.54) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL2702769 0.84 KMT2A (0.54) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL30354816 0.82 MAPT (0.48) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL29151315 0.82 MAPT (0.48) KMT2AMEN1SMN1; SMN2HTTTDP1
SCHEMBL30354847 0.81 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2ATMMAPT
SCHEMBL29151228 0.81 SMN1; SMN2 (0.65) KMT2AMEN1SMN1; SMN2ATMMAPT

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
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1664028-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026151-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 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-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 KMT2A 929/4885MEN1 1484/4885SMN1; SMN2 4675/4885
US-20070032508-A1 Quinazoline derivatives as tyrosine kinase inhibitors ABL1, ERBB2, LCK KMT2A 2237/4885MEN1 3223/4885SMN1; SMN2 4073/4885

“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.