Sugi Predict

Sugi Predict / Compounds / SCHEMBL4944678

SCHEMBL4944678

SCHEMBL4944678

C=C1C[C@@H](C(=O)Nc2ccc3ncccc3c2)N(C(=O)Nc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 6/20 0.45
▸ HTT P42858 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL4942773 0.84 NPC1 (0.51) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4945622 0.79 PABPC1 (0.48) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4944102 0.73 MAPT (0.50) NPC1MEN1MAPTKMT2ARAB9A
SCHEMBL4944215 0.71 CFTR (0.41) NPC1POLBMEN1MAPTKMT2A
SCHEMBL17898129 0.69 KMT2A (0.57) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5737098 0.68 NPC1 (0.53) NPC1POLBMEN1MAPTKMT2A
SCHEMBL4943061 0.68 PABPC1 (0.46) NPC1POLBMEN1MAPTKMT2A
SCHEMBL23758889 0.66 NPC1 (0.63) NPC1POLBMEN1MAPTKMT2A
SCHEMBL18885828 0.66 NPC1 (0.77) NPC1POLBMEN1MAPTKMT2A
SCHEMBL27599138 0.66 NPC1 (0.77) NPC1POLBMEN1MAPTKMT2A

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 4 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-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 NPC1 4009/4885POLB 2406/4885MEN1 4853/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 NPC1 3969/4885POLB 2419/4885MEN1 4860/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS NPC1 1842/4885POLB 824/4885MEN1 4751/4885

“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.