SCHEMBL4237673

SCHEMBL4237673

COc1ccc(C(C)(C)C)cc1Oc1nc(C(=O)Nc2c(OC)nc(NCCN(C(=O)O)C(C)C)nc2OC)cs1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ABCB1 P08183 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
POLB P06746 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
SCHEMBL4622604 0.96 ACHE (0.34) ACHEABCB1
SCHEMBL4622593 0.94 ACHE (0.33) ACHEMEN1KMT2AHTTABCB1
SCHEMBL4233113 0.94 ACHE (0.32) ACHEABCB1
SCHEMBL4235778 0.93 ABCB1 (0.35) ACHEMEN1KMT2AHTTABCB1
SCHEMBL4240309 0.93 ACHE (0.31) ACHE
SCHEMBL4233310 0.91 CACNA1H (0.30) ACHE
SCHEMBL4237858 0.87 MEN1 (0.35) MEN1KMT2AHTTABCB1KDM4E
SCHEMBL4236151 0.87 P2RY1 (0.32) ACHEALDH1A1MAPT
SCHEMBL4237713 0.86 ABCB1 (0.33) ACHEABCB1
SCHEMBL4238561 0.84 ABCB1 (0.32) ABCB1

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 ACHE 2474/4885MEN1 1007/4885KMT2A 1474/4885

“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.