Sugi Predict

Sugi Predict / Compounds / SCHEMBL4943005

SCHEMBL4943005

SCHEMBL4943005

C=CCO/N=C1\C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 12/20 0.45
▸ KDM4E B2RXH2 10/20 0.45
▸ LMNA P02545 6/20 0.45
▸ HPGD P15428 6/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HCRTR1 O43613 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ PAX8 Q06710 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ NPY5R Q15761 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ REV1 Q9UBZ9 1/20 0.42

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
SCHEMBL4943009 1.00 NPSR1 (0.46) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4939477 0.95 OXTR (0.47) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4943723 0.94 MAPT (0.45) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4943716 0.94 MAPT (0.45) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4943417 0.93 NPSR1 (0.49) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4943415 0.93 NPSR1 (0.49) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4944078 0.93 RORC (0.50) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4944080 0.93 RORC (0.50) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL4944158 0.89 NPY2R (0.45) NPSR1MAPTKDM4ELMNAHPGD
SCHEMBL5475200 0.89 NPY2R (0.45) NPSR1MAPTKDM4ELMNAHPGD

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
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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 — — 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR NPSR1 27/4885MAPT 4844/4885KDM4E 2553/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 NPSR1 22/4885MAPT 4816/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NPSR1 104/4885MAPT 2519/4885KDM4E 1468/4885

“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.