SCHEMBL4233244

SCHEMBL4233244

COc1nc(NCCO[Si](C)(C)C(C)(C)C)nc(OC)c1NC(=O)c1csc(Oc2ccccc2C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 6/20 0.33
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 2/20 0.33
PDE4B Q07343 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GCK P35557 1/20 0.32
CYP2C9 P11712 2/20 0.32
CACNA1F O60840 1/20 0.32
CHRM4 P08173 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL4233356 0.91 GNRHR (0.35) GNRHRHPGDLMNACYP2C9CACNA1F
SCHEMBL4228174 0.90 GNRHR (0.34) GNRHRHPGDMAPTLMNASMN1; SMN2
SCHEMBL4236673 0.89 GNRHR (0.34) GNRHRCYP2C9CACNA1FCHRM4ADORA3
SCHEMBL4237708 0.88 GNRHR (0.33) GNRHRMAPTLMNASMN1; SMN2CYP2C9
SCHEMBL4231604 0.86 LCK (0.36) GNRHRMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL4227267 0.83 MAPT (0.34) GNRHRHPGDMAPTLMNASMN1; SMN2
SCHEMBL4231647 0.81 CACNA1F (0.43) GNRHRNPC1CYP2C9CACNA1FCHRM4
SCHEMBL13743435 0.77 GNRHR (0.35) GNRHRHPGDMAPTLMNAALDH1A1
SCHEMBL4226409 0.77 IRAK4 (0.35) GNRHRHPGDMAPTALDH1A1CYP2C9
SCHEMBL4234138 0.77 GNRHR (0.34) GNRHRCYP2C9CACNA1FCHRM4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR GNRHR 1/4885HPGD 884/4885MAPT 4754/4885

“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.