SCHEMBL24756802

SCHEMBL24756802

CC/C1=N/CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.42
NOS1 P29475 7/20 0.42
NOS2 P35228 7/20 0.42
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL13742940 1.00 NOS3 (0.42) NOS3NOS1NOS2CYP2D6MEN1
SCHEMBL12020351 1.00 NOS3 (0.42) NOS3NOS1NOS2CYP2D6MEN1
SCHEMBL2729692 0.97
SCHEMBL1357490 0.90
Iodide SCHEMBL16038836 0.85 NOS3 (0.35) NOS3NOS1NOS2KDM4E
SCHEMBL14000046 0.81
SCHEMBL1760704 0.78
SCHEMBL8015557 0.78 CYP2D6 (0.41) NOS3NOS1NOS2CYP2D6MEN1
SCHEMBL11355992 0.74 MEN1 (0.39) NOS3NOS1NOS2CYP2D6MEN1
SCHEMBL21317763 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403234-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-12-22 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 (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-20220403234-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CONTAINING THE SAME RB1, CRY1, RBX1 NOS3 4119/4885NOS1 3144/4885NOS2 3428/4885

“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.