Sugi Predict

Sugi Predict / Compounds / SCHEMBL4945291

SCHEMBL4945291

SCHEMBL4945291

C=CCO/N=C1\C[C@@H](C(=O)Nc2ccc3ncccc3c2)N(C(=O)COC)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ OGA O60502 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACHE P22303 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
SCHEMBL4945299 1.00 NOTUM (0.40) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4944236 0.92 NOTUM (0.42) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4944233 0.92 NOTUM (0.42) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4938914 0.87 PABPC1 (0.45) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4938908 0.87 PABPC1 (0.45) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4944104 0.82 PTPN1 (0.43) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4944092 0.82 PTPN1 (0.43) NOTUMNPC1POLBMAPTMEN1
SCHEMBL4939112 0.79 NPSR1 (0.45) NPC1POLBMAPTMEN1KMT2A
SCHEMBL4939761 0.79 CFTR (0.36) EPHX2OGA
SCHEMBL4939765 0.79 CFTR (0.36) EPHX2OGA

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-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 — — EP 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 NOTUM 780/4885NPC1 3969/4885POLB 2419/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NOTUM 3553/4885NPC1 1842/4885POLB 824/4885

“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.