SCHEMBL4236707

SCHEMBL4236707

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAICS P22234 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NR1I2 O75469 8/20 0.33
ABCB1 P08183 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
GRM4 Q14833 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
SCHEMBL4237611 0.98 ABCB1 (0.32) PAICSALDH1A1KDM4ETDP1NR1I2
SCHEMBL4229066 0.90 ABCB1 (0.31) ABCB1MEN1KMT2APOLBHTT
SCHEMBL4226936 0.90 NR1I2 (0.34) NR1I2
SCHEMBL14621557 0.89 NR1I2 (0.35) NR1I2
SCHEMBL4237186 0.89 GNRHR (0.35) ALDH1A1KDM4EABCB1MEN1KMT2A
SCHEMBL4236671 0.89 ABCB1 (0.31) ABCB1MEN1KMT2AHTT
SCHEMBL4231659 0.89 NR1I2 (0.33) NR1I2MEN1KMT2APOLBMAPK1
SCHEMBL4229030 0.89 EDNRA (0.33) NR1I2MEN1KMT2APOLBMAPK1
SCHEMBL14621561 0.89 NR1I2 (0.34) NR1I2
SCHEMBL4228389 0.88 GNRHR (0.35) ALDH1A1KDM4EABCB1MEN1KMT2A

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 PAICS 2994/4885ALDH1A1 4595/4885KDM4E 2717/4885

“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.