SCHEMBL701776

SCHEMBL701776

CC(=O)C(N)[C@@H]1CN(c2ccc(OCC3(O)CCN(C(=O)OCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 1/20 0.36
KDM1A O60341 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ENPP2 Q13822 2/20 0.36
ATXN2 Q99700 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL2109045 0.96 RORC (0.35) SMN1; SMN2CYP2C19ALDH1A1ALOX15HSD17B10
SCHEMBL2110478 0.86 GPR119 (0.41) DPP4
SCHEMBL541126 0.86 CALML3 (0.47) SMN1; SMN2CYP2C19KDM1AMEN1KMT2A
SCHEMBL541127 0.86 CALML3 (0.47) SMN1; SMN2CYP2C19KDM1AMEN1KMT2A
SCHEMBL701777 0.85 MAOA (0.51)
SCHEMBL2107168 0.84 GPR119 (0.39) DPP4
SCHEMBL709605 0.82 CALML3 (0.46) CYP2C19KDM1APDE4B
SCHEMBL709604 0.82 CALML3 (0.46) CYP2C19KDM1APDE4B
SCHEMBL1424121 0.82 CALML3 (0.46) CYP2C19KDM1APDE4B
SCHEMBL2109811 0.81 HTR6 (0.33) S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124772-B2 Intermediate products for producing oxazolidinone-quinolone hybrids Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2012-02-28 US disclosed
US-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2009-12-10 US disclosed
US-7557214-B2 Intermediate products for producing oxazolidinone-quinolone hybrids Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2009-07-07 US disclosed
US-20070004769-A1 Intermediate products for producing oxazolidinone-quinolone hybrids MORPHOCHEM AKTIEGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-01-04 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 (2 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-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids OXA1L, NQO1, NQO2 SMN1; SMN2 4596/4885CYP2C19 192/4885ALDH1A1 1021/4885
US-20070004769-A1 Intermediate products for producing oxazolidinone-quinolone hybrids OXA1L, NQO1, NQO2 SMN1; SMN2 4596/4885CYP2C19 192/4885ALDH1A1 1021/4885

“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.