SCHEMBL4944931

SCHEMBL4944931

COCCCn1c(CCC(=O)NCc2ccccc2OC)nnc1SCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
PLA2G7 Q13093 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TP53 P04637 2/20 0.42
PDE6D O43924 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
SCHEMBL4944428 0.95 POLB (0.53) POLBL3MBTL1HPGDRXFP1PLA2G7
SCHEMBL4938852 0.94 POLB (0.52) POLBL3MBTL1HPGDRXFP1LMNA
SCHEMBL4941925 0.92 POLB (0.48) POLBL3MBTL1HPGDRXFP1LMNA
SCHEMBL4941360 0.91 POLB (0.51) POLBHPGDRXFP1MAPTTHRB
SCHEMBL4945336 0.89 POLB (0.55) POLBL3MBTL1HPGDRXFP1LMNA
SCHEMBL4937706 0.88 POLB (0.49) POLBL3MBTL1HPGDRXFP1MAPT
SCHEMBL4942558 0.88 POLB (0.51) POLBHPGDRXFP1LMNATHRB
SCHEMBL4944116 0.88 L3MBTL1 (0.47) POLBL3MBTL1HPGDLMNAMAPT
SCHEMBL4943851 0.88 TP53 (0.49) POLBL3MBTL1HPGDRXFP1LMNA
SCHEMBL4942008 0.86 HPGD (0.54) POLBL3MBTL1HPGDRXFP1PLA2G7

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 POLB 4439/4885L3MBTL1 4489/4885HPGD 561/4885

“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.