SCHEMBL5509993

SCHEMBL5509993

CCNC(=O)[N]c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
KDM5A P29375 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
USP2 O75604 2/20 0.39
PLOD2 O00469 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL4588132 0.79 GSK3B (0.41) NOS3NOS1NOS2GAAKMT2A
SCHEMBL5509513 0.78 NOS3 (0.47) NOS3NOS1NOS2GAAKMT2A
SCHEMBL7165451 0.73 NAPRT (0.47) NOS3NOS1NOS2GAAPKM
SCHEMBL1008978 0.72 HTR3E (0.60) NOS3NOS1NOS2GAAHTR3E
SCHEMBL353230 0.71 THRB (0.72) GAAKMT2ATHRBALDH1A1MEN1
SCHEMBL31314589 0.71 THRB (0.72) GAAKMT2ATHRBALDH1A1MEN1
Fluoride SCHEMBL11495080 0.70 THRB (0.70) GAAKMT2ATHRBALDH1A1MEN1
SCHEMBL31175967 0.70 THRB (0.70) GAAKMT2ATHRBALDH1A1MEN1
SCHEMBL12846720 0.69 CDK2 (0.69) KMT2APKMALDH1A1TRPV1MEN1
SCHEMBL12409531 0.69 CYP1A2 (0.66) GAAKMT2APKMRECQLALDH1A1

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.