SCHEMBL4233289

SCHEMBL4233289

COc1nc(NCCN(C)C(=O)O)nc(OC)c1NC(=O)c1csc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.35
LMNA P02545 5/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
PDE4B Q07343 1/20 0.33
RAD52 P43351 1/20 0.32
CSNK2A1 P68400 3/20 0.31
ACHE P22303 2/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL4237632 0.88 AAK1 (0.36) GNRHRLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL4227267 0.79 MAPT (0.34) GNRHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4232919 0.77 GNRHR (0.33) GNRHRRAD52CYP2C9
SCHEMBL4565739 0.77 GNRHR (0.33) GNRHRLMNAMAPTSMN1; SMN2ACHE
SCHEMBL4242164 0.77 ACHE (0.35) GNRHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4228052 0.75 GNRHR (0.51) GNRHRCYP2C9
SCHEMBL4621333 0.74 MAP3K5 (0.38) GNRHRKDM4EKMT2AKCNQ3KCNQ2
SCHEMBL4233359 0.72 GAA (0.33) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4237166 0.71 NLRP3 (0.36) GNRHRCYP2C9HTT
SCHEMBL4235242 0.71 HDAC3 (0.36) GNRHRLMNAMAPTALDH1A1SMN1; SMN2

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 1 patent. 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

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 1/4885LMNA 2647/4885MAPT 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.