Sugi Predict

Sugi Predict / Compounds / SCHEMBL4942804

SCHEMBL4942804

SCHEMBL4942804

COc1ccc(CNC(=O)CCCCc2nnc(SCC(=O)c3ccccc3)n2-c2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.59
▸ CDC25B P30305 4/20 0.59
▸ ALDH1A1 P00352 10/20 0.59
▸ LMNA P02545 6/20 0.59
▸ MAPT P10636 5/20 0.58
▸ HTT P42858 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4945112 0.92 ALDH1A1 (0.58) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4945047 0.86 ALDH1A1 (0.51) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4942529 0.86 ALDH1A1 (0.51) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4941501 0.85 ALDH1A1 (0.51) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4943986 0.85 ALDH1A1 (0.58) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4938198 0.84 ALDH1A1 (0.54) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL13992282 0.84 ALDH1A1 (0.51) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4944918 0.84 ALDH1A1 (0.56) CDC25ACDC25BALDH1A1LMNAMAPT
SCHEMBL4943328 0.83 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL4943938 0.82 ALDH1A1 (0.49) CDC25ACDC25BALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 — — US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 — — EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 — — US claimed
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 — — EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 — — WO claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 — — US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 — — US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 — — US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 — — 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B CDC25A 2654/4885CDC25B 2597/4885ALDH1A1 4091/4885

“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.