SCHEMBL6094964

SCHEMBL6094964

O=C(N[C@H](O)Cc1ccccc1)[C@@H]1CC(=NOCc2ccc(Cl)c(Cl)c2)CN1C(=O)COc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR34 Q9UPC5 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
GLP1R P43220 10/20 0.39
YAP1 P46937 1/20 0.38
MEN1 O00255 1/20 0.37
GPR183 P32249 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.36
S1PR1 P21453 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL4938817 1.00 TDP1 (0.43) TDP1L3MBTL1GPR34MMP1MMP3
SCHEMBL4942999 0.87 CAPN1 (0.39) MMP1MMP3MMP7MMP13GLP1R
SCHEMBL5479506 0.86 OXTR (0.47) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL6094967 0.76 L3MBTL1 (0.36) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL4942159 0.73 AGTR2 (0.44) MMP1MMP3MMP7MMP13
SCHEMBL4941926 0.73 OXTR (0.54) TDP1MMP1MMP3MMP7MMP13
SCHEMBL5474000 0.73 OXTR (0.54) TDP1MMP1MMP3MMP7MMP13
SCHEMBL4941922 0.73 OXTR (0.54) TDP1MMP1MMP3MMP7MMP13
SCHEMBL4943092 0.72 MMP1 (0.50) TDP1L3MBTL1MMP1MMP3MMP7
SCHEMBL4943095 0.72 MMP1 (0.50) TDP1L3MBTL1MMP1MMP3MMP7

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-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS TDP1 2479/4885L3MBTL1 3709/4885GPR34 957/4885

“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.