SCHEMBL4227267

SCHEMBL4227267

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
GNRHR P30968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
KCNQ3 O43525 3/20 0.32
KCNQ2 O43526 3/20 0.32
PDE4B Q07343 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL4233244 0.83 GNRHR (0.34) MAPTLMNASMN1; SMN2GAAALOX12
SCHEMBL4228174 0.82 GNRHR (0.34) MAPTLMNASMN1; SMN2KDM4EGAA
SCHEMBL4233356 0.81 GNRHR (0.35) LMNAGAAALOX12KMT2AHPGD
SCHEMBL4236673 0.80 GNRHR (0.34) GNRHRCYP2C9
SCHEMBL13743288 0.80 GNRHR (0.33) GNRHRKCNQ3KCNQ2CCR4
SCHEMBL4237632 0.79 AAK1 (0.36) MAPTLMNASMN1; SMN2KDM4EGAA
SCHEMBL4237708 0.79 GNRHR (0.33) MAPTLMNASMN1; SMN2GNRHRCYP2C9
SCHEMBL4233289 0.79 GNRHR (0.35) MAPTLMNASMN1; SMN2KDM4EGAA
SCHEMBL4231647 0.73 CACNA1F (0.43) GAAGNRHRNPC1CYP2C9
SCHEMBL4227494 0.70 KCNH3 (0.31) CYP1A2CYP2C19

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 MAPT 4754/4885LMNA 2647/4885SMN1; SMN2 3709/4885

“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.