SCHEMBL17525484

SCHEMBL17525484

CN(C)CCCNCCN1CCOc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.43
NOS1 P29475 6/20 0.43
NOS2 P35228 4/20 0.43
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPY5R Q15761 4/20 0.35
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 1/20 0.32
TP53 P04637 1/20 0.31
REN P00797 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 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
SCHEMBL17525483 0.93 NOS3 (0.45) NOS3NOS1NOS2KDM4EGAA
SCHEMBL17525515 0.88 NOS3 (0.47) NOS3NOS1NOS2KDM4EGAA
SCHEMBL19608940 0.87 NOS3 (0.41) NOS3NOS1NOS2GAANPY5R
SCHEMBL17525504 0.87 NOS3 (0.41) NOS3NOS1NOS2NPY5RHTR1A
SCHEMBL17505045 0.86 NOS3 (0.51) NOS3NOS1NOS2KDM4EGAA
SCHEMBL218638 0.85 NOS3 (0.54) NOS3NOS1NOS2KDM4EGAA
SCHEMBL17525485 0.84 NOS1 (0.45) NOS3NOS1NOS2KDM4EGAA
SCHEMBL17525496 0.83 NOS3 (0.43) NOS3NOS1NOS2KDM4ENPY5R
SCHEMBL17525495 0.82 NOS1 (0.41) NOS3NOS1NOS2NPY5RHTR1A
SCHEMBL17525497 0.82 NOS3 (0.42) NOS3NOS1NOS2NPY5RHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2018-05-24 US disclosed
WO-2016020490-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'OREAL (FR) 2016-02-11 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 (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-20180141922-A1 BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING XDH, KRT18, CYC1 NOS3 602/4885NOS1 1127/4885NOS2 1676/4885

“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.