SCHEMBL4943723

SCHEMBL4943723

C=CCON=C1C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
KDM4E B2RXH2 7/20 0.45
HPGD P15428 5/20 0.45
CFTR P13569 7/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HCRTR1 O43613 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TP53 P04637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4943716 1.00 MAPT (0.45) MAPTKDM4EHPGDCFTRALDH1A1
SCHEMBL4943009 0.94 NPSR1 (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4943005 0.94 NPSR1 (0.46) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4942109 0.93 CFTR (0.49) MAPTKDM4EHPGDCFTRALDH1A1
SCHEMBL4942116 0.93 CFTR (0.49) MAPTKDM4EHPGDCFTRALDH1A1
SCHEMBL4939477 0.93 OXTR (0.47) MAPTKDM4EHPGDALDH1A1GAA
SCHEMBL4944078 0.90 RORC (0.50) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL4944080 0.90 RORC (0.50) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL7090825 0.90 OXTR (0.49) MAPTKDM4EHPGDCFTRALDH1A1
SCHEMBL4943220 0.90 OXTR (0.49) MAPTKDM4EHPGDCFTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
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 (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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MAPT 4816/4885KDM4E 2451/4885HPGD 946/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MAPT 2519/4885KDM4E 1468/4885HPGD 689/4885

“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.