SCHEMBL4830461

SCHEMBL4830461

Cc1noc(CNC(=O)C2CNc3ccccc3O2)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.60
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL2616331 0.79 ALDH1A1 (0.44) HPGDALDH1A1RAB9ATSHRMAPK1
SCHEMBL17432607 0.76 HPGD (1.00) HPGDHSD17B10TSHRCYP1A2CYP3A4
SCHEMBL24377990 0.74 HPGD (0.60) HPGDHSD17B10ALDH1A1RAB9ATSHR
SCHEMBL29516358 0.74 HPGD (0.60) HPGDHSD17B10ALDH1A1RAB9ATSHR
SCHEMBL4835296 0.74 HPGD (0.79) HPGDHSD17B10ALDH1A1TSHRMAPK1
SCHEMBL18641914 0.74 HPGD (0.63) HPGDHSD17B10ALDH1A1RAB9ATSHR
SCHEMBL8568406 0.74 HPGD (0.86) HPGDHSD17B10ALDH1A1TSHRCYP1A2
SCHEMBL8568399 0.74 HPGD (0.86) HPGDHSD17B10ALDH1A1TSHRCYP1A2
SCHEMBL8568403 0.74 HPGD (0.86) HPGDHSD17B10ALDH1A1TSHRCYP1A2
SCHEMBL8567992 0.74 HPGD (0.69) HPGDHSD17B10RAB9ACYP1A2CYP3A4

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 7 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

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 2552/4885HSD17B10 1086/4885ALDH1A1 4761/4885
US-20080255109-A1 Non-peptide GnRH antagonists GNRHR, BRS3, FSHR HPGD 2541/4885HSD17B10 1029/4885ALDH1A1 4779/4885

“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.