SCHEMBL4229129

SCHEMBL4229129

CCOC(=O)c1csc(Oc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 9/20 0.45
MAPT P10636 8/20 0.45
NPC1 O15118 7/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.45
HSP90AA1 P07900 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RX3 P56373 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 3/20 0.40

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
SCHEMBL16398928 0.90 KDM4E (0.57) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL8724307 0.84 L3MBTL1 (0.57) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL5345436 0.83 RAB9A (0.56) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL4237157 0.82 RAB9A (0.45) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL9648904 0.79 RAB9A (0.47) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4231875 0.77 KDM4E (0.46) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL16399268 0.76 RAB9A (0.49) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL18002876 0.76 P2RX3 (0.61) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL23355309 0.75 RAB9A (0.51) SMN1; SMN2KDM4ERAB9AMAPTNPC1
SCHEMBL18003044 0.75 P2RX3 (0.49) SMN1; SMN2KDM4ERAB9AMAPTNPC1

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 SMN1; SMN2 3709/4885KDM4E 2717/4885RAB9A 961/4885

“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.