SCHEMBL5458739

SCHEMBL5458739

COc1ccc2[nH]nc(N3CCN(C[C@@H](O)COc4cccc(-c5noc6ccsc56)c4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.45
CACNA1G O43497 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN1 P18031 2/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL5459103 0.86 ADRB3 (0.43) KDM4EMAPTCACNA1GMEN1KMT2A
SCHEMBL5462818 0.86 MAPT (0.55) KDM4EMAPTCACNA1GMAPK1TP53
SCHEMBL7263928 0.83 MAPT (0.56) KDM4EMAPTCACNA1GMAPK1TP53
Hydrochloric Acid SCHEMBL3901886 0.82 MAPT (0.55) KDM4EMAPTCACNA1GMAPK1TP53
SCHEMBL5456576 0.82 HTR2A (0.43) KDM4EMAPTL3MBTL1PRMT5WDR77
SCHEMBL5459027 0.81 MAPT (0.56) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL5469939 0.81 KDM4E (0.57) KDM4EMAPTMAPK1TP53MEN1
SCHEMBL4084929 0.81 PRMT5 (0.41) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL4084916 0.81 PRMT5 (0.41) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL5465742 0.80 ACE2 (0.57) KDM4EMAPK1L3MBTL1PTPN1

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 7 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-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 KDM4E 986/4885MAPT 391/4885CACNA1G 2817/4885

“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.