SCHEMBL754145

SCHEMBL754145

CNCCC(=O)N(C)OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL12750810 0.88 KDM4A (0.42) MEN1KMT2ATSHRKDM4AKDM4C
Hydrochloric Acid SCHEMBL25170217 0.86 KDM4A (0.45) MEN1KMT2ATSHRKDM4AKDM4C
SCHEMBL4019745 0.81 PHF8 (0.39) MEN1KMT2ATSHRTDP1PKM
SCHEMBL24346148 0.81 MEN1 (0.33) MEN1KMT2ATSHRTDP1PKM
SCHEMBL23230291 0.79 MEN1 (0.32) MEN1KMT2ATSHR
SCHEMBL5148500 0.79 MEN1 (0.32) MEN1KMT2ATSHRPRMT3
SCHEMBL5368106 0.78 POLB (0.33) MEN1KMT2ATSHR
SCHEMBL754536 0.78 PAOX (0.37) MEN1KMT2ATSHR
SCHEMBL7135223 0.77
SCHEMBL2536587 0.77

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-7449489-B2 Indolylalkylamino-methylidenecarbamate derivatives useful as GnRH antagonists ASTRAZENECA AB (SE) 2008-11-11 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7317010-B2 Thieno-pyrrole compounds as antagonists of gonadotropin releasing hormone ASTRAZENECA AB (SE) 2008-01-08 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7256188-B2 3-aminoalkyl-2-aryl-indole derivatives and their use as GnRH antagonists ASTRAZENECA AB (SE) 2007-08-14 US disclosed
US-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070185185-A1 Derivatives of thienopyrrole as gnrh antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070167428-A1 Thienopyrroles as antagonists of gnrh ASTRAZENECA AB (SE) 2007-07-19 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 (4 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-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR MEN1 761/4885KMT2A 1698/4885TSHR 20/4885
US-20070185106-A1 Pyrrole derivatives as gonadotropin releasing hormone (gnrh) antagonists GNRHR, PRLHR, GHRHR MEN1 356/4885KMT2A 1732/4885TSHR 26/4885
US-20070167428-A1 Thienopyrroles as antagonists of gnrh GNRHR, PRLHR, TRHR MEN1 923/4885KMT2A 1902/4885TSHR 9/4885
US-20070185185-A1 Derivatives of thienopyrrole as gnrh antagonists GNRHR, PRLHR, TRHR MEN1 880/4885KMT2A 1997/4885TSHR 10/4885

“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.