SCHEMBL4947206

SCHEMBL4947206

CC(C)CNC(=O)CCCCc1nnc(SCc2cccc(Cl)c2)n1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
PDE6D O43924 2/20 0.41
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4944742 0.89 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL4945525 0.88 HPGD (0.48) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4941363 0.87 GLA (0.47) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4937673 0.85 TLR8 (0.49) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4943001 0.85 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4944189 0.85 HPGD (0.48) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4947027 0.84 HPGD (0.52) ALDH1A1LMNAMAPTHPGDTSHR
SCHEMBL4943589 0.83 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4945476 0.83 TLR8 (0.50) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL4946342 0.83 MEN1 (0.53) ALDH1A1LMNAMAPTHPGDMEN1

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 8 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-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 ALDH1A1 4091/4885LMNA 3028/4885MAPT 3974/4885

“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.