SCHEMBL5456746

SCHEMBL5456746

COc1ccc(CNC[C@@](C)(O)COc2cccc(-c3noc4ccsc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PIM1 P11309 1/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.33
PTGDR Q13258 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7258445 1.00 KMT2A (0.36) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL5462821 1.00 KMT2A (0.36) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL5467657 0.92 NPSR1 (0.34) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL7258471 0.92 NPSR1 (0.34) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL3901120 0.92 DRD2 (0.35) KMT2AMEN1LMNASMN1; SMN2CLK4
SCHEMBL7263967 0.92 DRD2 (0.35) KMT2AMEN1LMNASMN1; SMN2CLK4
SCHEMBL5459095 0.92 SMN1; SMN2 (0.34) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL5465956 0.92 MEN1 (0.40) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL5461828 0.92 MEN1 (0.40) KMT2AMEN1LMNASMN1; SMN2DYRK1A
SCHEMBL5465616 0.92 SMN1; SMN2 (0.34) KMT2AMEN1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US disclosed
US-7125903-B1 Thienoisoxazolyl-and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2006-10-24 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-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 KMT2A 2395/4885MEN1 4878/4885LMNA 4884/4885

“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.