SCHEMBL17525535

SCHEMBL17525535

Nc1ccc2c(c1)OCCN2CCOCCO

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.36
NOS1 P29475 4/20 0.36
NOS2 P35228 3/20 0.36
KDM4E B2RXH2 2/20 0.34
HTR1A P08908 2/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
REN P00797 1/20 0.33
TSHR P16473 1/20 0.33
APP P05067 1/20 0.33
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.31
NPY5R Q15761 1/20 0.31
GRM5 P41594 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
SCHEMBL17525493 0.88 NOS1 (0.38) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17859626 0.88 NOS3 (0.33) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17859602 0.86 NOS3 (0.34) NOS3NOS1NOS2HTR1ASLC6A4
SCHEMBL11969208 0.86 NOS3 (0.40) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL29631754 0.86 NOS3 (0.40) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17859628 0.85 NOS3 (0.44) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17859601 0.84 HTR1A (0.35) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17525511 0.84 NOS3 (0.39) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL8238626 0.83 GRM5 (0.44) NOS3NOS1NOS2KDM4EHTR1A
SCHEMBL17525479 0.83 NOS3 (0.38) NOS3NOS1NOS2KDM4EHTR1A

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 3 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
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.