SCHEMBL5467940

SCHEMBL5467940

N#Cc1ccccc1N1CCN(CC(O)COc2ccc(-c3noc4ccsc34)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.54
HTR7 P34969 3/20 0.52
HTR1A P08908 2/20 0.52
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ABCB1 P08183 7/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
CACNA1G O43497 1/20 0.42
KCNH2 Q12809 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5467935 1.00 HSP90AB1 (0.54) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL5466567 0.91 PRMT5 (0.47) HSP90AB1HTR7HTR1AKDM4EABCB1
SCHEMBL5466556 0.91 PRMT5 (0.47) HSP90AB1HTR7HTR1AKDM4EABCB1
SCHEMBL5461290 0.88 KCNH2 (0.58) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL5370498 0.82 HTR1A (0.53) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL5363235 0.82 HTR1A (0.53) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL5363239 0.82 HTR1A (0.53) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL5469975 0.81 HTR7 (0.49) HSP90AB1HTR7HTR1AALDH1A1KDM4E
SCHEMBL13902765 0.80 ABCB1 (0.46) HSP90AB1ALDH1A1KDM4EABCB1MEN1
SCHEMBL5460355 0.80 MAPT (0.53) HTR7HTR1AALDH1A1ABCB1MEN1

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
JP-2003509432-A 2003-03-11 JP claimed
EP-1216250-A1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019833-A1 THIENOISOXAZOLYL- AND THIENYLPYRRAZOLYL-PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
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 HSP90AB1 1341/4885HTR7 29/4885HTR1A 21/4885

“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.