SCHEMBL4125084

SCHEMBL4125084

Cc1c(O)cccc1C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.46
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
CXCR2 P25025 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
LMNA P02545 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B1 P14061 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
SCHEMBL6646866 0.87 KMT2A (0.53) SMN1; SMN2MEN1KMT2AKEAP1ESR1
SCHEMBL509929 0.82 MEN1 (0.48) SMN1; SMN2MEN1KMT2AKEAP1CXCR2
SCHEMBL1810392 0.82 ESR1 (0.59) SMN1; SMN2MEN1KMT2AKEAP1TRPA1
SCHEMBL1446966 0.81 MEN1 (0.57) SMN1; SMN2MEN1KMT2AKEAP1L3MBTL1
SCHEMBL5446778 0.80 POLB (0.58) MEN1KMT2AESR1ESR2HSP90AA1
SCHEMBL1758782 0.79 TRPA1 (0.52) SMN1; SMN2KMT2ATRPA1ATMLMNA
SCHEMBL7899919 0.78 MEN1 (0.46) SMN1; SMN2MEN1KMT2AKEAP1ESR1
SCHEMBL510076 0.78 GAA (0.52) SMN1; SMN2MEN1KMT2AKEAP1ESR1
SCHEMBL15266586 0.78 KEAP1 (0.49) SMN1; SMN2MEN1KMT2AKEAP1ESR1
SCHEMBL13254930 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKEAP1ESR1

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 29 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-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-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 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 SMN1; SMN2 2508/4885MEN1 2713/4885KMT2A 4365/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885MEN1 2713/4885KMT2A 4365/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885MEN1 2713/4885KMT2A 4365/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885MEN1 2713/4885KMT2A 4365/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SMN1; SMN2 2508/4885MEN1 2713/4885KMT2A 4365/4885

“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.