SCHEMBL4132024

SCHEMBL4132024

COc1ccc(NC(=S)N2CC(OS(C)(=O)=O)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
MEN1 O00255 7/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.42
PABPC1 P11940 4/20 0.42
POLB P06746 2/20 0.40
S1PR2 O95136 2/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TLR9 Q9NR96 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 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
SCHEMBL18785034 0.86 KMT2A (0.43) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL4119204 0.80 NPC1 (0.48) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL4132129 0.79 PI4KB (0.37) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL4126374 0.78 SMN1; SMN2 (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL4130196 0.77 HTT (0.54) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL5299753 0.76 KMT2A (0.50) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL4126551 0.75 NAMPT (0.48) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL4124426 0.74 MAPT (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4113958 0.74 OXTR (0.62) KDM4E
SCHEMBL4386794 0.73 ALDH1A1 (0.47) KMT2AMEN1KDM4EMAPTNPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
US-9023872-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2015-05-05 US disclosed
EP-1841758-B1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2009-11-18 EP disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 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 (5 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-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR KMT2A 4365/4885MEN1 2713/4885KDM4E 3100/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR KMT2A 4365/4885MEN1 2713/4885KDM4E 3100/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR KMT2A 4365/4885MEN1 2713/4885KDM4E 3100/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR KMT2A 4365/4885MEN1 2713/4885KDM4E 3100/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR KMT2A 4365/4885MEN1 2713/4885KDM4E 3100/4885

“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.