SCHEMBL4229066

SCHEMBL4229066

COc1nc(CCCNC(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2C)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 2/20 0.31
MAPK14 Q16539 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4236671 0.98 ABCB1 (0.31) ABCB1MEN1KMT2AHTTMAPK14
SCHEMBL4621305 0.96
SCHEMBL4236707 0.90 PAICS (0.33) ABCB1MEN1KMT2AHTTPOLB
SCHEMBL4237186 0.90 GNRHR (0.35) ABCB1MEN1KMT2AHTT
SCHEMBL4240782 0.90 NR1I2 (0.30)
SCHEMBL14621562 0.89 NR1I2 (0.32)
SCHEMBL14621560 0.88
SCHEMBL4228389 0.88 GNRHR (0.35) ABCB1MEN1KMT2AHTTPOLB
SCHEMBL4226551 0.88 NR1I2 (0.30)
SCHEMBL4237611 0.88 ABCB1 (0.32) ABCB1MEN1KMT2AHTTPOLB

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 2 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 claimed
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 ABCB1 4102/4885MEN1 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.