SCHEMBL4835296

SCHEMBL4835296

O=C(NCCO)C1CNc2ccccc2O1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.79
POLB P06746 1/20 0.61
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL17432607 0.88 HPGD (1.00) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8568406 0.86 HPGD (0.86) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8568403 0.86 HPGD (0.86) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8568399 0.86 HPGD (0.86) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8571139 0.85 HPGD (0.76) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8571137 0.85 HPGD (0.76) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL24377953 0.83 HPGD (0.69) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL11546202 0.82 HPGD (0.67) HPGDPOLBHSD17B10KMT2AMEN1
SCHEMBL8567992 0.80 HPGD (0.69) HPGDHSD17B10KMT2AMEN1CYP3A4
SCHEMBL8567990 0.80 HPGD (0.69) HPGDHSD17B10KMT2AMEN1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-20080255109-A1 Non-peptide GnRH antagonists VANTIA, LTD 2008-10-16 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-7365065-B2 Non-peptide GnRH antagonists FERRING B.V. (NL) 2008-04-29 US disclosed
US-20050222139-A1 Non-peptide gnrh antagonists FERRING B.V. (NL) 2005-10-06 US disclosed
EP-1485356-A1 NON-PEPTIDE GnRH ANTAGONISTS Ferring BV (NL) 2004-12-15 EP disclosed
WO-2003078398-A1 NON-PEPTIDE GnRH ANTAGONISTS FERRING BV (NL) 2003-09-25 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 (2 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-20050222139-A1 Non-peptide gnrh antagonists GNRHR, BRS3, FSHR HPGD 2552/4885POLB 4095/4885HSD17B10 1086/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR HPGD 2541/4885POLB 4153/4885HSD17B10 1029/4885

“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.