SCHEMBL4938658

SCHEMBL4938658

C=CCNC(=O)CCCCc1nnc(SCc2c(F)c(F)c(F)c(F)c2F)n1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
GLA P06280 1/20 0.42
ALDH1A1 P00352 8/20 0.41
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.39
PAX8 Q06710 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL4945743 0.90 TLR8 (0.47) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4942957 0.88 TLR8 (0.42) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4944997 0.87 TLR8 (0.48) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4946276 0.87 TLR8 (0.46) TLR8GLAALDH1A1KMT2APAX8
SCHEMBL4943455 0.86 ALDH1A1 (0.53) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4937947 0.86 TLR8 (0.48) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4947314 0.86 TLR8 (0.46) TLR8GLAALDH1A1RECQLKMT2A
SCHEMBL4941501 0.82 ALDH1A1 (0.51) TLR8ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4942965 0.82 TP53 (0.43) TLR8GLAALDH1A1RECQLCYP1A2
SCHEMBL4945456 0.80 TLR8 (0.44) TLR8GLAALDH1A1RECQLKMT2A

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 TLR8 2282/4885GLA 4817/4885ALDH1A1 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.