SCHEMBL5509601

SCHEMBL5509601

CCC[N]c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PLG P00747 1/20 0.38
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 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
SCHEMBL1871119 0.80
SCHEMBL95534 0.75 ALDH1A1 (0.41) NOS3NOS1NOS2MAPTLMNA
SCHEMBL7647055 0.74 NOS3 (0.47) NOS3NOS1NOS2CYP2D6CYP3A4
SCHEMBL8750708 0.73 TDP1 (0.40) NOS3NOS1NOS2CYP2D6MAPT
SCHEMBL6651377 0.73 PLG (0.40) NOS3NOS1NOS2PLGMAPT
SCHEMBL6672933 0.66 CYP1A2 (0.56) CYP3A4LMNACHKAALDH1A1CYP1A2
SCHEMBL1746460 0.66
SCHEMBL5515356 0.64 LMNA (0.41) NOS3NOS1NOS2MAPTLMNA
SCHEMBL5507382 0.64 NOS3 (0.40) NOS3NOS1NOS2PLGCYP2D6
SCHEMBL106526 0.64 CCNT1 (0.50) NOS3NOS1NOS2PLGCYP2D6

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-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 NOS3 1928/4885NOS1 2275/4885NOS2 2501/4885

“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.