SCHEMBL4943750

SCHEMBL4943750

COc1ccccc1CNC(=O)CCCCc1nnc(SCc2cccc(C)c2)n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
ALDH1A1 P00352 7/20 0.47
NPSR1 Q6W5P4 5/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL4944755 0.94 HPGD (0.50) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4942970 0.93 HPGD (0.57) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4945700 0.92 HPGD (0.49) HPGDALDH1A1NPSR1MAPTHTT
SCHEMBL4944620 0.92 TP53 (0.52) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4944436 0.92 HPGD (0.50) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4944914 0.91 HPGD (0.51) HPGDALDH1A1NPSR1L3MBTL1MAPK1
SCHEMBL4945710 0.91 ALDH1A1 (0.49) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL8349370 0.89 HPGD (0.48) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4942542 0.89 HPGD (0.48) HPGDALDH1A1NPSR1GAAL3MBTL1
SCHEMBL4941444 0.89 ALDH1A1 (0.56) ALDH1A1NPSR1GAAL3MBTL1MAPK1

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
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO 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 HPGD 561/4885ALDH1A1 4091/4885NPSR1 17/4885

“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.