SCHEMBL4944637

SCHEMBL4944637

CCCNC(=O)CCCCc1nnc(SCc2cc(C)cc(C)c2)n1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.42
PAX8 Q06710 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES O14684 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
SCHEMBL4945348 0.96 TLR8 (0.47) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4938019 0.94 TLR8 (0.47) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4943628 0.92 TLR8 (0.50) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4943892 0.92 ALDH1A1 (0.54) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4944583 0.91 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTNPSR1LMNA
SCHEMBL4944635 0.90 TLR8 (0.51) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4941972 0.89 TLR8 (0.47) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4946575 0.89 TLR8 (0.47) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4937945 0.89 ALDH1A1 (0.52) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4945519 0.88 L3MBTL1 (0.49) TLR8CYP1A2CYP3A4CYP2D6CYP2C9

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 2282/4885CYP1A2 1042/4885CYP3A4 2195/4885

“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.