SCHEMBL5515058

SCHEMBL5515058

CCC(O[C]=O)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CYP51A1 Q16850 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP19A1 P11511 2/20 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
SCHEMBL27372 0.81 LMNA (0.42) LMNASMN1; SMN2ALDH1A1POLBSLC6A4
SCHEMBL4670361 0.79 ALDH1A1 (0.37) CYP3A4CYP2C19LMNAHTTSMN1; SMN2
SCHEMBL6704873 0.73 ALDH1A1 (0.42) CYP3A4LMNAMAPTALDH1A1KDM4E
SCHEMBL10590199 0.72 CYP3A4 (0.40) CYP17A1CYP3A4CYP2C19LMNAHTT
SCHEMBL6706894 0.72 MEN1 (0.30) SMN1; SMN2GAAKMT2A
SCHEMBL28036264 0.71 KDM4E (0.39) CYP17A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2634157 0.71 KMT2A (0.39) CYP17A1CYP3A4CYP2C19LMNAHTT
SCHEMBL21835014 0.71 MAPT (0.38) LMNAHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL6710205 0.70 KCNA5 (0.46) CYP3A4CYP2C19LMNASMN1; SMN2ALDH1A1
SCHEMBL13667665 0.69 CYP17A1 (0.39) CYP17A1CYP3A4CYP2C19LMNAHTT

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 CYP17A1 1238/4885CYP3A4 1481/4885CYP2C19 1383/4885

“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.